3-cyano-4-methoxy-N-phenylbenzamide

C15H12N2O2 — CID 18626252

IUPAC3-cyano-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1C#N
InChIInChI=1S/C15H12N2O2/c1-19-14-8-7-11(9-12(14)10-16)15(18)17-13-5-3-2-4-6-13/h2-9H,1H3,(H,17,18)
InChIKeyAEWOXBIRFQPJPB-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.82
Rot. Bonds3

About 3-cyano-4-methoxy-N-phenylbenzamide

3-cyano-4-methoxy-N-phenylbenzamide (PubChem CID 18626252) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-cyano-4-methoxy-N-phenylbenzamide.

Molecular Properties

Compound Name3-cyano-4-methoxy-N-phenylbenzamide
PubChem CID18626252
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-cyano-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1C#N
InChIInChI=1S/C15H12N2O2/c1-19-14-8-7-11(9-12(14)10-16)15(18)17-13-5-3-2-4-6-13/h2-9H,1H3,(H,17,18)
InChIKeyAEWOXBIRFQPJPB-UHFFFAOYSA-N
XLogP2.82
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dicyanoethenylamino)-4-methoxy-N-phenylbenzamide
CID 168541185
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
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4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
3-isocyanato-4-methoxy-N-phenylbenzamide
CID 169352067
3-[(3-cyanophenyl)carbamothioylamino]-4-methoxy-N-phenylbenzamide
CID 54153620
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 143484074
4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide
CID 168511942

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-methoxy-N-phenylbenzamide?
The IUPAC name of 3-cyano-4-methoxy-N-phenylbenzamide (CID 18626252) is 3-cyano-4-methoxy-N-phenylbenzamide.
What is the SMILES notation for 3-cyano-4-methoxy-N-phenylbenzamide?
The canonical SMILES for 3-cyano-4-methoxy-N-phenylbenzamide is COc1ccc(C(=O)Nc2ccccc2)cc1C#N.
What is the InChIKey of 3-cyano-4-methoxy-N-phenylbenzamide?
The InChIKey is AEWOXBIRFQPJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-14-8-7-11(9-12(14)10-16)15(18)17-13-5-3-2-4-6-13/h2-9H,1H3,(H,17,18).
What are the key properties of 3-cyano-4-methoxy-N-phenylbenzamide?
3-cyano-4-methoxy-N-phenylbenzamide has a molecular weight of 252.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-methoxy-N-phenylbenzamide is sourced from PubChem (CID 18626252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).