5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide

C14H16BrF3N2O — CID 115297157

IUPAC5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESNc1ccc(Br)c(C(=O)NC2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C14H16BrF3N2O/c15-12-5-4-9(19)7-11(12)13(21)20-10-3-1-2-8(6-10)14(16,17)18/h4-5,7-8,10H,1-3,6,19H2,(H,20,21)
InChIKeyCBZGYUBKCKSNNU-UHFFFAOYSA-N
MW365.19 g/mol
LogP3.88
Rot. Bonds2

About 5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide

5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 115297157) has the molecular formula C14H16BrF3N2O and a molecular weight of 365.19 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID115297157
Molecular FormulaC14H16BrF3N2O
Molecular Weight365.19 g/mol
Exact Mass364.04
IUPAC Name5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESNc1ccc(Br)c(C(=O)NC2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C14H16BrF3N2O/c15-12-5-4-9(19)7-11(12)13(21)20-10-3-1-2-8(6-10)14(16,17)18/h4-5,7-8,10H,1-3,6,19H2,(H,20,21)
InChIKeyCBZGYUBKCKSNNU-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 53.88
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

4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 107794023
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115297377
5-amino-2-bromo-N-(thiolan-3-yl)benzamide
CID 103062225
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
CID 62398473
6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
5-bromo-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 79964365

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide (CID 115297157) is 5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide is Nc1ccc(Br)c(C(=O)NC2CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of 5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is CBZGYUBKCKSNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3N2O/c15-12-5-4-9(19)7-11(12)13(21)20-10-3-1-2-8(6-10)14(16,17)18/h4-5,7-8,10H,1-3,6,19H2,(H,20,21).
What are the key properties of 5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 365.19 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 115297157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).