N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide

C9H7ClF3NO — CID 4159159

IUPACN-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1cc(Cl)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO/c1-5-4-6(10)2-3-7(5)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyNLFQKSORHQIDOE-UHFFFAOYSA-N
MW237.61 g/mol
LogP3.15
Rot. Bonds1

About N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide

N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 4159159) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
PubChem CID4159159
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC NameN-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1cc(Cl)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO/c1-5-4-6(10)2-3-7(5)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyNLFQKSORHQIDOE-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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8-chloroquinolin-2(1H)-one
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Butanamide, N-(4-chloro-2-methylphenyl)-3-oxo-
CID 258549
N-(4-chloro-2-(trifluoromethyl)phenyl)-2-propoxy-acetamide
CID 15708953
N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
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CID 2736671
6-Chloro-4-methylquinolin-2(1H)-one
CID 606322
Fasentin
CID 879520
N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide (CID 4159159) is N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide is Cc1cc(Cl)ccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is NLFQKSORHQIDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c1-5-4-6(10)2-3-7(5)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 237.61 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 4159159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).