2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide

C10H9ClF3NO2 — CID 43697093

IUPAC2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)CCl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO2/c1-17-6-2-3-8(15-9(16)5-11)7(4-6)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyQXMVFCNISQNIBZ-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.89
Rot. Bonds3

About 2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide

2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 43697093) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
PubChem CID43697093
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)CCl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO2/c1-17-6-2-3-8(15-9(16)5-11)7(4-6)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyQXMVFCNISQNIBZ-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 63679600
4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide
CID 79200697
1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 47223994
2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 83315794
5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82013444
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide
CID 86231173
(E)-4-[4-methoxy-2-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 60940535
tert-butyl N-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]carbamate
CID 167964651
N-[4-bromo-2-[hydroxy-bis(4-methoxyphenyl)methyl]phenyl]-2-chloroacetamide
CID 68977017
methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41463972

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide (CID 43697093) is 2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide is COc1ccc(NC(=O)CCl)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QXMVFCNISQNIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-17-6-2-3-8(15-9(16)5-11)7(4-6)10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 267.63 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 43697093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).