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

C17H15N3O — CID 6422377

IUPAC1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccccc2C2CC2)cc1
InChIInChI=1S/C17H15N3O/c18-11-12-5-9-14(10-6-12)19-17(21)20-16-4-2-1-3-15(16)13-7-8-13/h1-6,9-10,13H,7-8H2,(H2,19,20,21)
InChIKeyLALLQBFJSJXEHW-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.08
Rot. Bonds3

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

1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea (PubChem CID 6422377) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea
PubChem CID6422377
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ccccc2C2CC2)cc1
InChIInChI=1S/C17H15N3O/c18-11-12-5-9-14(10-6-12)19-17(21)20-16-4-2-1-3-15(16)13-7-8-13/h1-6,9-10,13H,7-8H2,(H2,19,20,21)
InChIKeyLALLQBFJSJXEHW-UHFFFAOYSA-N
XLogP4.08
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146
1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
CID 67251605
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
4-[(2-cyclopropylphenyl)methylamino]benzonitrile
CID 79979257
1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860121
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
(2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide
CID 121325031
1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150405
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea (CID 6422377) is 1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea is N#Cc1ccc(NC(=O)Nc2ccccc2C2CC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea?
The InChIKey is LALLQBFJSJXEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-11-12-5-9-14(10-6-12)19-17(21)20-16-4-2-1-3-15(16)13-7-8-13/h1-6,9-10,13H,7-8H2,(H2,19,20,21).
What are the key properties of 1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea?
1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea has a molecular weight of 277.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea is sourced from PubChem (CID 6422377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).