N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide

C16H14N2O2 — CID 104848948

IUPACN-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cc(C#N)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C16H14N2O2/c1-20-15-9-13(11-17)7-8-14(15)18-16(19)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyWDGCIFLHNPXERH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.75
Rot. Bonds4

About N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide

N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide (PubChem CID 104848948) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
PubChem CID104848948
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cc(C#N)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C16H14N2O2/c1-20-15-9-13(11-17)7-8-14(15)18-16(19)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyWDGCIFLHNPXERH-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
5-(4-cyano-2-methoxyanilino)-5-oxopentanoic acid
CID 104833874
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
5-(4-cyano-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 104833873
N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide
CID 104854981
N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
CID 104849122
N-(4-cyano-2-methoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 107035004
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
3-(4-cyano-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898981
N-(4-cyano-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114343595
4-[(3-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843630

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide (CID 104848948) is N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide is COc1cc(C#N)ccc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide?
The InChIKey is WDGCIFLHNPXERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-15-9-13(11-17)7-8-14(15)18-16(19)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide?
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide has a molecular weight of 266.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 104848948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).