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

C17H13ClF3NO3 — CID 86231173

IUPAC2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide
SMILESCOc1ccc(NC(=O)CCl)c(C(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H13ClF3NO3/c1-25-12-6-7-14(22-15(23)9-18)13(8-12)16(24)10-2-4-11(5-3-10)17(19,20)21/h2-8H,9H2,1H3,(H,22,23)
InChIKeyWPRMROYNBMMNSD-UHFFFAOYSA-N
MW371.74 g/mol
LogP4.12
Rot. Bonds5

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

2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide (PubChem CID 86231173) has the molecular formula C17H13ClF3NO3 and a molecular weight of 371.74 g/mol. Its IUPAC name is 2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide
PubChem CID86231173
Molecular FormulaC17H13ClF3NO3
Molecular Weight371.74 g/mol
Exact Mass371.05
IUPAC Name2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide
SMILESCOc1ccc(NC(=O)CCl)c(C(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H13ClF3NO3/c1-25-12-6-7-14(22-15(23)9-18)13(8-12)16(24)10-2-4-11(5-3-10)17(19,20)21/h2-8H,9H2,1H3,(H,22,23)
InChIKeyWPRMROYNBMMNSD-UHFFFAOYSA-N
XLogP4.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.74
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 105095598
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037
2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide
CID 3058399
N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 134068254
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 112556074
[2-(4-chloro-3-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamic acid
CID 174347872
4-[(2-chloroacetyl)amino]-3-methoxybenzoic acid
CID 19099511
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526
N-(4-methoxy-2-methylphenyl)-N-[2-(methylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 101430806

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide (CID 86231173) is 2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide is COc1ccc(NC(=O)CCl)c(C(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide?
The InChIKey is WPRMROYNBMMNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO3/c1-25-12-6-7-14(22-15(23)9-18)13(8-12)16(24)10-2-4-11(5-3-10)17(19,20)21/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of 2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide?
2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide has a molecular weight of 371.74 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methoxy-2-[4-(trifluoromethyl)benzoyl]phenyl]acetamide is sourced from PubChem (CID 86231173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).