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88451-18-7 | Urea, N-butyl-N'-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-
CAS No: 88451-18-7 Catalog No: AG004EHY MDL No:
Product Description
Catalog Number:
AG004EHY
Chemical Name:
Urea, N-butyl-N'-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-
CAS Number:
88451-18-7
Molecular Formula:
C20H25FN2O
Molecular Weight:
328.4237
IUPAC Name:
1-butyl-3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]urea
InChI:
InChI=1S/C20H25FN2O/c1-4-5-12-23(14-17-8-6-7-9-18(17)21)20(24)22-19-11-10-15(2)13-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)
InChI Key:
UTBOJIIXRHLWQK-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(cc1C)C)Cc1ccccc1F
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.195g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.431g/mol
Monoisotopic Mass:
328.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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