2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide

C15H11ClF4N2O — CID 109010763

IUPAC2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(F)(F)F)Nc1cccc(F)c1
InChIInChI=1S/C15H11ClF4N2O/c16-9-4-5-13(12(6-9)15(18,19)20)21-8-14(23)22-11-3-1-2-10(17)7-11/h1-7,21H,8H2,(H,22,23)
InChIKeyPNQCEARTGWUIHG-UHFFFAOYSA-N
MW346.71 g/mol
LogP4.55
Rot. Bonds4

About 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide

2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide (PubChem CID 109010763) has the molecular formula C15H11ClF4N2O and a molecular weight of 346.71 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
PubChem CID109010763
Molecular FormulaC15H11ClF4N2O
Molecular Weight346.71 g/mol
Exact Mass346.05
IUPAC Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(F)(F)F)Nc1cccc(F)c1
InChIInChI=1S/C15H11ClF4N2O/c16-9-4-5-13(12(6-9)15(18,19)20)21-8-14(23)22-11-3-1-2-10(17)7-11/h1-7,21H,8H2,(H,22,23)
InChIKeyPNQCEARTGWUIHG-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.71
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 31418097
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
2-(2-bromo-4-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 81271498
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide
CID 109042072
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
CID 108954992
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009
N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29046314
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide (CID 109010763) is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide is O=C(CNc1ccc(Cl)cc1C(F)(F)F)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide?
The InChIKey is PNQCEARTGWUIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4N2O/c16-9-4-5-13(12(6-9)15(18,19)20)21-8-14(23)22-11-3-1-2-10(17)7-11/h1-7,21H,8H2,(H,22,23).
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide?
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide has a molecular weight of 346.71 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 109010763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).