2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

C15H12BrF3N2O — CID 7492494

IUPAC2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H12BrF3N2O/c16-10-5-7-11(8-6-10)20-9-14(22)21-13-4-2-1-3-12(13)15(17,18)19/h1-8,20H,9H2,(H,21,22)
InChIKeyOOTDGAPOXKEDRM-UHFFFAOYSA-N
MW373.17 g/mol
LogP4.52
Rot. Bonds4

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

2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 7492494) has the molecular formula C15H12BrF3N2O and a molecular weight of 373.17 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID7492494
Molecular FormulaC15H12BrF3N2O
Molecular Weight373.17 g/mol
Exact Mass372.01
IUPAC Name2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H12BrF3N2O/c16-10-5-7-11(8-6-10)20-9-14(22)21-13-4-2-1-3-12(13)15(17,18)19/h1-8,20H,9H2,(H,21,22)
InChIKeyOOTDGAPOXKEDRM-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
2-(4-bromophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1068388
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 7922871
2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide
CID 47077590
N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
2-(4-bromoanilino)-N-(2-ethoxyphenyl)acetamide
CID 7535577
N-[2-methyl-3-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]phenyl]propanamide
CID 47077586
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
2-(4-acetylanilino)-N-(2-tert-butylphenyl)acetamide
CID 30534468
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26017539

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 7492494) is 2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CNc1ccc(Br)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OOTDGAPOXKEDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2O/c16-10-5-7-11(8-6-10)20-9-14(22)21-13-4-2-1-3-12(13)15(17,18)19/h1-8,20H,9H2,(H,21,22).
What are the key properties of 2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 373.17 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7492494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).