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914397-50-5 | Benzamide, 3-iodo-N-[2-(1-pyrrolidinyl)-4-pyridinyl]-
CAS No: 914397-50-5 Catalog No: AG006AOL MDL No:
Product Description
Catalog Number:
AG006AOL
Chemical Name:
Benzamide, 3-iodo-N-[2-(1-pyrrolidinyl)-4-pyridinyl]-
CAS Number:
914397-50-5
Molecular Formula:
C16H16IN3O
Molecular Weight:
393.2222
IUPAC Name:
3-iodo-N-(2-pyrrolidin-1-ylpyridin-4-yl)benzamide
InChI:
InChI=1S/C16H16IN3O/c17-13-5-3-4-12(10-13)16(21)19-14-6-7-18-15(11-14)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,18,19,21)
InChI Key:
PSYIUFBBOHNEMH-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C(=O)Nc1ccnc(c1)N1CCCC1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.228g/mol
Monoisotopic Mass:
393.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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