2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide

C17H14ClF3N2O3 — CID 113181324

IUPAC2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C(C)=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H14ClF3N2O3/c1-9(24)23(13-5-4-11(19)16(20)17(13)21)8-15(25)22-12-7-10(18)3-6-14(12)26-2/h3-7H,8H2,1-2H3,(H,22,25)
InChIKeyUZXYUSRKFSCULW-UHFFFAOYSA-N
MW386.76 g/mol
LogP3.76
Rot. Bonds5

About 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 113181324) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID113181324
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC Name2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C(C)=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H14ClF3N2O3/c1-9(24)23(13-5-4-11(19)16(20)17(13)21)8-15(25)22-12-7-10(18)3-6-14(12)26-2/h3-7H,8H2,1-2H3,(H,22,25)
InChIKeyUZXYUSRKFSCULW-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113181330
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113181358
methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 113176142
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181335
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113172115
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174807
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-(N-acetyl-3-methoxyanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113173418
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113181321
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113169517
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113165494

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 113181324) is 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C(C)=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is UZXYUSRKFSCULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c1-9(24)23(13-5-4-11(19)16(20)17(13)21)8-15(25)22-12-7-10(18)3-6-14(12)26-2/h3-7H,8H2,1-2H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 386.76 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 113181324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).