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

C14H10ClN3O — CID 721948

IUPAC1-(4-chlorophenyl)-3-(4-cyanophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10ClN3O/c15-11-3-7-13(8-4-11)18-14(19)17-12-5-1-10(9-16)2-6-12/h1-8H,(H2,17,18,19)
InChIKeyYYVASTQFSXAUPG-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.86
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(4-cyanophenyl)urea (PubChem CID 721948) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-cyanophenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-cyanophenyl)urea
PubChem CID721948
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name1-(4-chlorophenyl)-3-(4-cyanophenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10ClN3O/c15-11-3-7-13(8-4-11)18-14(19)17-12-5-1-10(9-16)2-6-12/h1-8H,(H2,17,18,19)
InChIKeyYYVASTQFSXAUPG-UHFFFAOYSA-N
XLogP3.86
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-cyanophenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-cyanophenyl)urea (CID 721948) is 1-(4-chlorophenyl)-3-(4-cyanophenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-cyanophenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-cyanophenyl)urea is N#Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-cyanophenyl)urea?
The InChIKey is YYVASTQFSXAUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-11-3-7-13(8-4-11)18-14(19)17-12-5-1-10(9-16)2-6-12/h1-8H,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(4-cyanophenyl)urea?
1-(4-chlorophenyl)-3-(4-cyanophenyl)urea has a molecular weight of 271.71 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-cyanophenyl)urea is sourced from PubChem (CID 721948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).