2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide

C10H9ClF3NO2 — CID 166430570

IUPAC2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(NC(=O)CCl)ccc1OC(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c1-6-4-7(15-9(16)5-11)2-3-8(6)17-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyNLQQUFVXGPEQHC-UHFFFAOYSA-N
MW267.63 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide

2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 166430570) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
PubChem CID166430570
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(NC(=O)CCl)ccc1OC(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c1-6-4-7(15-9(16)5-11)2-3-8(6)17-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyNLQQUFVXGPEQHC-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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

2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide
CID 166432051
(Z)-2-cyano-3-hydroxy-N-[3-methyl-4-(trifluoromethoxy)phenyl]but-2-enamide
CID 59879565
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
CID 63308381
1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea
CID 134297449
4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane
CID 143548597
2-chloro-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]acetamide
CID 166428368
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
CID 107336495
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide (CID 166430570) is 2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide is Cc1cc(NC(=O)CCl)ccc1OC(F)(F)F.
What is the InChIKey of 2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NLQQUFVXGPEQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-6-4-7(15-9(16)5-11)2-3-8(6)17-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide?
2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 267.63 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 166430570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).