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

C15H12BrF3N2O — CID 7492486

IUPAC2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12BrF3N2O/c16-11-3-7-12(8-4-11)20-9-14(22)21-13-5-1-10(2-6-13)15(17,18)19/h1-8,20H,9H2,(H,21,22)
InChIKeySEMBHYKQQPQFHA-UHFFFAOYSA-N
MW373.17 g/mol
LogP4.52
Rot. Bonds4

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

2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 7492486) has the molecular formula C15H12BrF3N2O and a molecular weight of 373.17 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID7492486
Molecular FormulaC15H12BrF3N2O
Molecular Weight373.17 g/mol
Exact Mass372.01
IUPAC Name2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12BrF3N2O/c16-11-3-7-12(8-4-11)20-9-14(22)21-13-5-1-10(2-6-13)15(17,18)19/h1-8,20H,9H2,(H,21,22)
InChIKeySEMBHYKQQPQFHA-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-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009815
methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 9083088
2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7492494
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N-carbamoyl-2-[4-(trifluoromethyl)anilino]acetamide
CID 26507967
2-(3-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 115650334
3,3-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 60565839
2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
CID 4806491
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 7492486) is 2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNc1ccc(Br)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SEMBHYKQQPQFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2O/c16-11-3-7-12(8-4-11)20-9-14(22)21-13-5-1-10(2-6-13)15(17,18)19/h1-8,20H,9H2,(H,21,22).
What are the key properties of 2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-bromoanilino)-N-[4-(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-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7492486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).