1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea

C15H14N4O — CID 28894609

IUPAC1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(C#N)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H14N4O/c1-19(14-8-4-12(17)5-9-14)15(20)18-13-6-2-11(10-16)3-7-13/h2-9H,17H2,1H3,(H,18,20)
InChIKeyZCFUKUQKLJJELE-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.81
Rot. Bonds2

About 1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea

1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea (PubChem CID 28894609) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
PubChem CID28894609
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(C#N)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H14N4O/c1-19(14-8-4-12(17)5-9-14)15(20)18-13-6-2-11(10-16)3-7-13/h2-9H,17H2,1H3,(H,18,20)
InChIKeyZCFUKUQKLJJELE-UHFFFAOYSA-N
XLogP2.81
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62983110
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea
CID 62003994
3-(2-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62981730
2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
CID 110674996
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693
5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide
CID 62983322
N-(4-cyanophenyl)-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108967624
1-(3-amino-2,2-dimethylpropyl)-3-(4-cyanophenyl)-1-methylurea
CID 79652704
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
1-(4-aminophenyl)-3-(3-cyanophenyl)-1-ethylurea
CID 63233699
1-(4-cyanophenyl)-3-cyclohexyl-1-methylurea
CID 62981204

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea?
The IUPAC name of 1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea (CID 28894609) is 1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea?
The canonical SMILES for 1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea is CN(C(=O)Nc1ccc(C#N)cc1)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea?
The InChIKey is ZCFUKUQKLJJELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(14-8-4-12(17)5-9-14)15(20)18-13-6-2-11(10-16)3-7-13/h2-9H,17H2,1H3,(H,18,20).
What are the key properties of 1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea?
1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea has a molecular weight of 266.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea is sourced from PubChem (CID 28894609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).