4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide

C16H15N3O2 — CID 104847820

IUPAC4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C16H15N3O2/c1-10-7-12(4-5-13(10)18)16(20)19-14-6-3-11(9-17)8-15(14)21-2/h3-8H,18H2,1-2H3,(H,19,20)
InChIKeyZZDPADUFQUNDRJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.71
Rot. Bonds3

About 4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide

4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide (PubChem CID 104847820) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
PubChem CID104847820
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C16H15N3O2/c1-10-7-12(4-5-13(10)18)16(20)19-14-6-3-11(9-17)8-15(14)21-2/h3-8H,18H2,1-2H3,(H,19,20)
InChIKeyZZDPADUFQUNDRJ-UHFFFAOYSA-N
XLogP2.71
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybenzamide
CID 104783168
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
CID 104848978
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide (CID 104847820) is 4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide is COc1cc(C#N)ccc1NC(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide?
The InChIKey is ZZDPADUFQUNDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-7-12(4-5-13(10)18)16(20)19-14-6-3-11(9-17)8-15(14)21-2/h3-8H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide?
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide has a molecular weight of 281.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 104847820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).