2-cyano-N-(3-fluoro-4-methylphenyl)acetamide

C10H9FN2O — CID 24693898

IUPAC2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC#N)cc1F
InChIInChI=1S/C10H9FN2O/c1-7-2-3-8(6-9(7)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKeyNWSWPZAGHNBJIF-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.99
Rot. Bonds2

About 2-cyano-N-(3-fluoro-4-methylphenyl)acetamide

2-cyano-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 24693898) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-cyano-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID24693898
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC#N)cc1F
InChIInChI=1S/C10H9FN2O/c1-7-2-3-8(6-9(7)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKeyNWSWPZAGHNBJIF-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
methyl 5-[(2-cyanoacetyl)amino]-2-fluorobenzoate
CID 168520431
2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 168520574
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
CID 168522703
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(3-fluoro-4-methylphenyl)acetamide (CID 24693898) is 2-cyano-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC#N)cc1F.
What is the InChIKey of 2-cyano-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is NWSWPZAGHNBJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-7-2-3-8(6-9(7)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14).
What are the key properties of 2-cyano-N-(3-fluoro-4-methylphenyl)acetamide?
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 192.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 24693898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).