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

C11H9N3O — CID 10655606

IUPAC2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C11H9N3O/c12-7-5-9-1-3-10(4-2-9)14-11(15)6-8-13/h1-4H,5-6H2,(H,14,15)
InChIKeyNKIFPJDSWBAWEW-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.60
Rot. Bonds3

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

2-cyano-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 10655606) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-cyano-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID10655606
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C11H9N3O/c12-7-5-9-1-3-10(4-2-9)14-11(15)6-8-13/h1-4H,5-6H2,(H,14,15)
InChIKeyNKIFPJDSWBAWEW-UHFFFAOYSA-N
XLogP1.60
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
5-bromo-N-[4-(cyanomethyl)phenyl]pentanamide
CID 107908863
N-[4-(cyanomethyl)phenyl]-3,3-dimethylbutanamide
CID 55021427
N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide
CID 60731315
N-[4-(cyanomethyl)phenyl]-2-(4-sulfanylphenyl)acetamide
CID 107028125
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
CID 168523403
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
methyl 2-[4-[(2-cyanoacetyl)amino]phenyl]acetate
CID 83290938
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]acetic acid
CID 2811968

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(cyanomethyl)phenyl]acetamide (CID 10655606) is 2-cyano-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(cyanomethyl)phenyl]acetamide is N#CCC(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is NKIFPJDSWBAWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-7-5-9-1-3-10(4-2-9)14-11(15)6-8-13/h1-4H,5-6H2,(H,14,15).
What are the key properties of 2-cyano-N-[4-(cyanomethyl)phenyl]acetamide?
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 199.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 10655606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).