1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea

C15H12ClN3O — CID 108899194

IUPAC1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea
SMILESN#Cc1ccccc1NC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O/c16-13-7-5-11(6-8-13)10-18-15(20)19-14-4-2-1-3-12(14)9-17/h1-8H,10H2,(H2,18,19,20)
InChIKeyXFOKIUOSBSNGNG-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.53
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea

1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea (PubChem CID 108899194) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea
PubChem CID108899194
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea
SMILESN#Cc1ccccc1NC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O/c16-13-7-5-11(6-8-13)10-18-15(20)19-14-4-2-1-3-12(14)9-17/h1-8H,10H2,(H2,18,19,20)
InChIKeyXFOKIUOSBSNGNG-UHFFFAOYSA-N
XLogP3.53
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109054791
1-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109148526
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(2-cyanoanilino)prop-2-enamide
CID 108839528
2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086782
6-[(4-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109156965
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501543
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 8990549

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea (CID 108899194) is 1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea is N#Cc1ccccc1NC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea?
The InChIKey is XFOKIUOSBSNGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-7-5-11(6-8-13)10-18-15(20)19-14-4-2-1-3-12(14)9-17/h1-8H,10H2,(H2,18,19,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea?
1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea has a molecular weight of 285.73 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea is sourced from PubChem (CID 108899194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).