1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea

C15H14N4O — CID 78965300

IUPAC1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C#N)cc2N)c1
InChIInChI=1S/C15H14N4O/c1-10-3-2-4-12(7-10)18-15(20)19-14-6-5-11(9-16)8-13(14)17/h2-8H,17H2,1H3,(H2,18,19,20)
InChIKeyWIVHFSFLJMIOHF-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.09
Rot. Bonds2

About 1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea

1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea (PubChem CID 78965300) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea
PubChem CID78965300
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C#N)cc2N)c1
InChIInChI=1S/C15H14N4O/c1-10-3-2-4-12(7-10)18-15(20)19-14-6-5-11(9-16)8-13(14)17/h2-8H,17H2,1H3,(H2,18,19,20)
InChIKeyWIVHFSFLJMIOHF-UHFFFAOYSA-N
XLogP3.09
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-bromophenyl)-3-(3-cyanophenyl)urea
CID 43132937
1-(2-bromo-4-methylphenyl)-3-(3-cyanophenyl)urea
CID 43132948
N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
CID 78965143
1-(2-amino-4-cyanophenyl)-3-[(2,6-dimethylphenyl)methyl]urea
CID 143443807
1-(2-amino-4-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 78965201
1-(2-amino-5-chlorophenyl)-3-(3-cyanophenyl)urea
CID 43245874
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
1-(5-amino-2-bromo-4-methylphenyl)-3-(3-methylphenyl)urea
CID 104814730
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea (CID 78965300) is 1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(C#N)cc2N)c1.
What is the InChIKey of 1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea?
The InChIKey is WIVHFSFLJMIOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-3-2-4-12(7-10)18-15(20)19-14-6-5-11(9-16)8-13(14)17/h2-8H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea?
1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea has a molecular weight of 266.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 78965300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).