2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide

C16H14N2O2 — CID 168520198

IUPAC2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
SMILESCOc1cc(NC(=O)CC#N)ccc1-c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-20-15-11-13(18-16(19)9-10-17)7-8-14(15)12-5-3-2-4-6-12/h2-8,11H,9H2,1H3,(H,18,19)
InChIKeyDIAXTLISUCGLIL-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.21
Rot. Bonds4

About 2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide

2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide (PubChem CID 168520198) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
PubChem CID168520198
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
SMILESCOc1cc(NC(=O)CC#N)ccc1-c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-20-15-11-13(18-16(19)9-10-17)7-8-14(15)12-5-3-2-4-6-12/h2-8,11H,9H2,1H3,(H,18,19)
InChIKeyDIAXTLISUCGLIL-UHFFFAOYSA-N
XLogP3.21
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108922586
2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide
CID 168523675
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,5-dimethoxybenzamide
CID 108922675
2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide
CID 168523947
2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168524286
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
N-(3-methoxy-4-phenylphenyl)ethanesulfonamide
CID 71225607

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide (CID 168520198) is 2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide is COc1cc(NC(=O)CC#N)ccc1-c1ccccc1.
What is the InChIKey of 2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide?
The InChIKey is DIAXTLISUCGLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-15-11-13(18-16(19)9-10-17)7-8-14(15)12-5-3-2-4-6-12/h2-8,11H,9H2,1H3,(H,18,19).
What are the key properties of 2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide?
2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide is sourced from PubChem (CID 168520198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).