2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide

C18H17N3O2 — CID 26375554

IUPAC2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2ccc(CC#N)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-13(22)20-16-8-4-15(5-9-16)12-18(23)21-17-6-2-14(3-7-17)10-11-19/h2-9H,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyAAHZBMHHXLPKNT-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.89
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide

2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 26375554) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID26375554
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2ccc(CC#N)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-13(22)20-16-8-4-15(5-9-16)12-18(23)21-17-6-2-14(3-7-17)10-11-19/h2-9H,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyAAHZBMHHXLPKNT-UHFFFAOYSA-N
XLogP2.89
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
N-[4-(cyanomethyl)phenyl]-2-(4-sulfanylphenyl)acetamide
CID 107028125
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
N-[4-(cyanomethyl)phenyl]-3,3-dimethylbutanamide
CID 55021427
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 8860626
2-acetamido-N-[4-(cyanomethyl)phenyl]propanamide
CID 134052820
N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide
CID 60731315
cyanomethyl 2-(4-acetamidophenyl)acetate
CID 8608142
2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 9261034
(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 9259796
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide (CID 26375554) is 2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)Nc2ccc(CC#N)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is AAHZBMHHXLPKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13(22)20-16-8-4-15(5-9-16)12-18(23)21-17-6-2-14(3-7-17)10-11-19/h2-9H,10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide?
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 26375554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).