2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide

C13H16BrFN2O — CID 64824097

IUPAC2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C13H16BrFN2O/c14-8-5-6-10(15)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18)
InChIKeyXBIVGYJFFMBNCC-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.04
Rot. Bonds2

About 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide

2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 64824097) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID64824097
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C13H16BrFN2O/c14-8-5-6-10(15)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18)
InChIKeyXBIVGYJFFMBNCC-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64823949
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 116595335
2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
CID 64824712
2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64824996
2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide
CID 81496913
2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
CID 64822911

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide (CID 64824097) is 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide is NC1CCCCC1C(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is XBIVGYJFFMBNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-8-5-6-10(15)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18).
What are the key properties of 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide?
2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64824097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).