N-(4-cyano-2,5-dimethylphenyl)acetamide

C11H12N2O — CID 10910295

IUPACN-(4-cyano-2,5-dimethylphenyl)acetamide
SMILESCC(=O)Nc1cc(C)c(C#N)cc1C
InChIInChI=1S/C11H12N2O/c1-7-5-11(13-9(3)14)8(2)4-10(7)6-12/h4-5H,1-3H3,(H,13,14)
InChIKeyBTICLSLBPUVRKM-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.13
Rot. Bonds1

About N-(4-cyano-2,5-dimethylphenyl)acetamide

N-(4-cyano-2,5-dimethylphenyl)acetamide (PubChem CID 10910295) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(4-cyano-2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-2,5-dimethylphenyl)acetamide
PubChem CID10910295
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-(4-cyano-2,5-dimethylphenyl)acetamide
SMILESCC(=O)Nc1cc(C)c(C#N)cc1C
InChIInChI=1S/C11H12N2O/c1-7-5-11(13-9(3)14)8(2)4-10(7)6-12/h4-5H,1-3H3,(H,13,14)
InChIKeyBTICLSLBPUVRKM-UHFFFAOYSA-N
XLogP2.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-acetamido-2,5-dimethylphenyl) thiocyanate
CID 12771494
N-(3-cyano-4-methylphenyl)acetamide
CID 130011949
N-(4-cyano-2-fluoro-5-methylphenyl)-3-oxobutanamide
CID 54244521
(4-acetamido-5-cyano-2-methylphenyl)methyl acetate
CID 57354043
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
N-(6-cyano-2,3-dihydro-1H-inden-5-yl)acetamide
CID 10536029
CID 164856832
CID 164856832
N-(4-cyano-3,5-dimethylphenyl)acetamide
CID 171976448
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
4-(3,5-dimethoxyanilino)-2,5-dimethylbenzonitrile
CID 11087246
4-bromo-2,5-dimethylbenzonitrile
CID 56604249
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(4-cyano-2,5-dimethylphenyl)acetamide (CID 10910295) is N-(4-cyano-2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(4-cyano-2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(4-cyano-2,5-dimethylphenyl)acetamide is CC(=O)Nc1cc(C)c(C#N)cc1C.
What is the InChIKey of N-(4-cyano-2,5-dimethylphenyl)acetamide?
The InChIKey is BTICLSLBPUVRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-5-11(13-9(3)14)8(2)4-10(7)6-12/h4-5H,1-3H3,(H,13,14).
What are the key properties of N-(4-cyano-2,5-dimethylphenyl)acetamide?
N-(4-cyano-2,5-dimethylphenyl)acetamide has a molecular weight of 188.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 10910295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).