N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide

C14H10BrF3N2O — CID 16771044

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
SMILESNc1ccc(NC(=O)c2ccc(Br)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H10BrF3N2O/c15-9-3-1-8(2-4-9)13(21)20-10-5-6-12(19)11(7-10)14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKeyNAMXFDNDFDLUNC-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.30
Rot. Bonds2

About N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide

N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide (PubChem CID 16771044) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
PubChem CID16771044
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
SMILESNc1ccc(NC(=O)c2ccc(Br)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H10BrF3N2O/c15-9-3-1-8(2-4-9)13(21)20-10-5-6-12(19)11(7-10)14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKeyNAMXFDNDFDLUNC-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62154697
N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide
CID 16770916
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
1-N,4-N-bis[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 148615789
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
4-amino-N-[3-[(3-aminobenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 135301189
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 1309008
1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide (CID 16771044) is N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide is Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide?
The InChIKey is NAMXFDNDFDLUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c15-9-3-1-8(2-4-9)13(21)20-10-5-6-12(19)11(7-10)14(16,17)18/h1-7H,19H2,(H,20,21).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide has a molecular weight of 359.15 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide is sourced from PubChem (CID 16771044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).