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88314-24-3 | Propanamide, N-[3-[(3-chloro-2-propenyl)(2-cyanoethyl)amino]phenyl]-
CAS No: 88314-24-3 Catalog No: AG0048HA MDL No:
Product Description
Catalog Number:
AG0048HA
Chemical Name:
Propanamide, N-[3-[(3-chloro-2-propenyl)(2-cyanoethyl)amino]phenyl]-
CAS Number:
88314-24-3
Molecular Formula:
C15H18ClN3O
Molecular Weight:
291.7759
IUPAC Name:
N-[3-[3-chloroprop-2-enyl(2-cyanoethyl)amino]phenyl]propanamide
InChI:
InChI=1S/C15H18ClN3O/c1-2-15(20)18-13-6-3-7-14(12-13)19(10-4-8-16)11-5-9-17/h3-4,6-8,12H,2,5,10-11H2,1H3,(H,18,20)
InChI Key:
KFSBSFXLNOLOKC-UHFFFAOYSA-N
SMILES:
ClC=CCN(c1cccc(c1)NC(=O)CC)CCC#N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.779g/mol
Monoisotopic Mass:
291.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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