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

C14H9Cl2N3O — CID 107808212

IUPAC1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-10-2-4-11(5-3-10)18-14(20)19-13-6-1-9(8-17)7-12(13)16/h1-7H,(H2,18,19,20)
InChIKeyBLKVEKWYBIEDEX-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.51
Rot. Bonds2

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

1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea (PubChem CID 107808212) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
PubChem CID107808212
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-10-2-4-11(5-3-10)18-14(20)19-13-6-1-9(8-17)7-12(13)16/h1-7H,(H2,18,19,20)
InChIKeyBLKVEKWYBIEDEX-UHFFFAOYSA-N
XLogP4.51
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
(2R)-2-[(2-chloro-4-cyanophenyl)carbamoylamino]propanoic acid
CID 107809286
N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108515972
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea
CID 14548767
1-[(2-chloro-4-cyanophenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107809312

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea (CID 107808212) is 1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea is N#Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea?
The InChIKey is BLKVEKWYBIEDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-10-2-4-11(5-3-10)18-14(20)19-13-6-1-9(8-17)7-12(13)16/h1-7H,(H2,18,19,20).
What are the key properties of 1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea?
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea has a molecular weight of 306.15 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 107808212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).