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

C15H11ClF4N2O — CID 109008379

IUPAC2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1F
InChIInChI=1S/C15H11ClF4N2O/c16-9-5-6-12(10(7-9)15(18,19)20)21-8-14(23)22-13-4-2-1-3-11(13)17/h1-7,21H,8H2,(H,22,23)
InChIKeyQVUVFYUKBFIVAC-UHFFFAOYSA-N
MW346.71 g/mol
LogP4.55
Rot. Bonds4

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

2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide (PubChem CID 109008379) 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-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
PubChem CID109008379
Molecular FormulaC15H11ClF4N2O
Molecular Weight346.71 g/mol
Exact Mass346.05
IUPAC Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1F
InChIInChI=1S/C15H11ClF4N2O/c16-9-5-6-12(10(7-9)15(18,19)20)21-8-14(23)22-13-4-2-1-3-11(13)17/h1-7,21H,8H2,(H,22,23)
InChIKeyQVUVFYUKBFIVAC-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-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 42113234
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 2518054
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 7922871
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide (CID 109008379) is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide is O=C(CNc1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1F.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide?
The InChIKey is QVUVFYUKBFIVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4N2O/c16-9-5-6-12(10(7-9)15(18,19)20)21-8-14(23)22-13-4-2-1-3-11(13)17/h1-7,21H,8H2,(H,22,23).
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide?
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 109008379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).