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

C15H14N4O2 — CID 43551365

IUPAC1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C15H14N4O2/c1-21-14-5-3-2-4-13(14)19-15(20)18-12-7-6-11(17)8-10(12)9-16/h2-8H,17H2,1H3,(H2,18,19,20)
InChIKeyQHQWZNIWHAYVTG-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.79
Rot. Bonds3

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

1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea (PubChem CID 43551365) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea
PubChem CID43551365
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C15H14N4O2/c1-21-14-5-3-2-4-13(14)19-15(20)18-12-7-6-11(17)8-10(12)9-16/h2-8H,17H2,1H3,(H2,18,19,20)
InChIKeyQHQWZNIWHAYVTG-UHFFFAOYSA-N
XLogP2.79
TPSA100.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 82695331
1-(2-amino-4-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 78965201
1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea
CID 62315446
1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea
CID 16777814
5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide
CID 82013560
1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107652968
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574
1-(2-cyano-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)thiourea
CID 1481151
methyl 3-(4-amino-2-cyanoanilino)propanoate
CID 61295014
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
3-amino-N-(2-cyanophenyl)-4-methoxybenzamide
CID 16788313

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea (CID 43551365) is 1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc(N)cc1C#N.
What is the InChIKey of 1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea?
The InChIKey is QHQWZNIWHAYVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-14-5-3-2-4-13(14)19-15(20)18-12-7-6-11(17)8-10(12)9-16/h2-8H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea?
1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea has a molecular weight of 282.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 43551365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).