2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide

C11H8F4N2O — CID 168523936

IUPAC2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1c(F)ccc(NC(=O)CC#N)c1C(F)(F)F
InChIInChI=1S/C11H8F4N2O/c1-6-7(12)2-3-8(10(6)11(13,14)15)17-9(18)4-5-16/h2-3H,4H2,1H3,(H,17,18)
InChIKeyAEEXBWWSCKLZDJ-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.01
Rot. Bonds2

About 2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide

2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 168523936) has the molecular formula C11H8F4N2O and a molecular weight of 260.19 g/mol. Its IUPAC name is 2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide
PubChem CID168523936
Molecular FormulaC11H8F4N2O
Molecular Weight260.19 g/mol
Exact Mass260.06
IUPAC Name2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1c(F)ccc(NC(=O)CC#N)c1C(F)(F)F
InChIInChI=1S/C11H8F4N2O/c1-6-7(12)2-3-8(10(6)11(13,14)15)17-9(18)4-5-16/h2-3H,4H2,1H3,(H,17,18)
InChIKeyAEEXBWWSCKLZDJ-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide
CID 168522520
2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
CID 168520371
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110
N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide
CID 168520551
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide
CID 168524104
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532
tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide (CID 168523936) is 2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide is Cc1c(F)ccc(NC(=O)CC#N)c1C(F)(F)F.
What is the InChIKey of 2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AEEXBWWSCKLZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O/c1-6-7(12)2-3-8(10(6)11(13,14)15)17-9(18)4-5-16/h2-3H,4H2,1H3,(H,17,18).
What are the key properties of 2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide?
2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 260.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 168523936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).