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

C16H11ClF6N2O — CID 109009727

IUPAC2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF6N2O/c17-9-5-6-12(11(7-9)16(21,22)23)24-8-14(26)25-13-4-2-1-3-10(13)15(18,19)20/h1-7,24H,8H2,(H,25,26)
InChIKeyOJWQRNHLVCEFKK-UHFFFAOYSA-N
MW396.72 g/mol
LogP5.43
Rot. Bonds4

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

2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 109009727) has the molecular formula C16H11ClF6N2O and a molecular weight of 396.72 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID109009727
Molecular FormulaC16H11ClF6N2O
Molecular Weight396.72 g/mol
Exact Mass396.05
IUPAC Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF6N2O/c17-9-5-6-12(11(7-9)16(21,22)23)24-8-14(26)25-13-4-2-1-3-10(13)15(18,19)20/h1-7,24H,8H2,(H,25,26)
InChIKeyOJWQRNHLVCEFKK-UHFFFAOYSA-N
XLogP5.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.72
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 42113234
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 2518054
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 109009727) is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CNc1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OJWQRNHLVCEFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6N2O/c17-9-5-6-12(11(7-9)16(21,22)23)24-8-14(26)25-13-4-2-1-3-10(13)15(18,19)20/h1-7,24H,8H2,(H,25,26).
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 396.72 g/mol, XLogP of 5.43, 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-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 109009727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).