1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea

C22H20N4O — CID 60563611

IUPAC1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea
SMILESCC(Nc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1)c1ccccc1
InChIInChI=1S/C22H20N4O/c1-16(18-7-3-2-4-8-18)24-19-10-12-20(13-11-19)25-22(27)26-21-9-5-6-17(14-21)15-23/h2-14,16,24H,1H3,(H2,25,26,27)
InChIKeyNTRNOPYFLGRGMU-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.38
Rot. Bonds5

About 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea

1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea (PubChem CID 60563611) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea
PubChem CID60563611
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea
SMILESCC(Nc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1)c1ccccc1
InChIInChI=1S/C22H20N4O/c1-16(18-7-3-2-4-8-18)24-19-10-12-20(13-11-19)25-22(27)26-21-9-5-6-17(14-21)15-23/h2-14,16,24H,1H3,(H2,25,26,27)
InChIKeyNTRNOPYFLGRGMU-UHFFFAOYSA-N
XLogP5.38
TPSA76.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]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-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
1-(3-cyanophenyl)-3-(4-formylphenyl)urea
CID 106912787
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
1-(3-cyanophenyl)-3-(4-methylidenearsanylphenyl)urea
CID 161267287
1-(3-cyanophenyl)-3-(3-oxobutan-2-yl)urea
CID 64993876
5-[(3-cyanophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 98426013
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
1-(3-cyanophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023685

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea (CID 60563611) is 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea is CC(Nc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1)c1ccccc1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea?
The InChIKey is NTRNOPYFLGRGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16(18-7-3-2-4-8-18)24-19-10-12-20(13-11-19)25-22(27)26-21-9-5-6-17(14-21)15-23/h2-14,16,24H,1H3,(H2,25,26,27).
What are the key properties of 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea?
1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea has a molecular weight of 356.43 g/mol, XLogP of 5.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea is sourced from PubChem (CID 60563611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).