1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea

C15H9ClN4O — CID 107808221

IUPAC1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc(C#N)cc2Cl)cc1
InChIInChI=1S/C15H9ClN4O/c16-13-7-11(9-18)3-6-14(13)20-15(21)19-12-4-1-10(8-17)2-5-12/h1-7H,(H2,19,20,21)
InChIKeyIOGMYAFWOXIQSC-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.73
Rot. Bonds2

About 1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea

1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea (PubChem CID 107808221) has the molecular formula C15H9ClN4O and a molecular weight of 296.72 g/mol. Its IUPAC name is 1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
PubChem CID107808221
Molecular FormulaC15H9ClN4O
Molecular Weight296.72 g/mol
Exact Mass296.05
IUPAC Name1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc(C#N)cc2Cl)cc1
InChIInChI=1S/C15H9ClN4O/c16-13-7-11(9-18)3-6-14(13)20-15(21)19-12-4-1-10(8-17)2-5-12/h1-7H,(H2,19,20,21)
InChIKeyIOGMYAFWOXIQSC-UHFFFAOYSA-N
XLogP3.73
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108515972
1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea
CID 14548767
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480
(2R)-2-[(2-chloro-4-cyanophenyl)carbamoylamino]propanoic acid
CID 107809286
1-[(2-chloro-4-cyanophenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107809312
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
3-[(2-chloro-4-cyanophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107809378
2-[[2-[(2-chloro-4-cyanophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 107809314
N-[4-[(2-chloro-4-cyanoanilino)methyl]phenyl]acetamide
CID 107807525
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea?
The IUPAC name of 1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea (CID 107808221) is 1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea.
What is the SMILES notation for 1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea?
The canonical SMILES for 1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea is N#Cc1ccc(NC(=O)Nc2ccc(C#N)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea?
The InChIKey is IOGMYAFWOXIQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O/c16-13-7-11(9-18)3-6-14(13)20-15(21)19-12-4-1-10(8-17)2-5-12/h1-7H,(H2,19,20,21).
What are the key properties of 1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea?
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea has a molecular weight of 296.72 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea is sourced from PubChem (CID 107808221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).