3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide

C13H16BrFN2O — CID 55147503

IUPAC3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(F)cc2Br)C1
InChIInChI=1S/C13H16BrFN2O/c14-11-7-9(15)4-5-12(11)17-13(18)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18)
InChIKeyBBBLIXGIEVUOMM-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.04
Rot. Bonds2

About 3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide

3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 55147503) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID55147503
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(F)cc2Br)C1
InChIInChI=1S/C13H16BrFN2O/c14-11-7-9(15)4-5-12(11)17-13(18)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18)
InChIKeyBBBLIXGIEVUOMM-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 3-amino-N-(2-bromo-4-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

3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
CID 63047302
3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119771657
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
2-[(3-aminocyclohexanecarbonyl)amino]-5-bromobenzoic acid
CID 63046627
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]cyclohexane-1-carboxamide
CID 119795110
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103753587

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide (CID 55147503) is 3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2ccc(F)cc2Br)C1.
What is the InChIKey of 3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is BBBLIXGIEVUOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-11-7-9(15)4-5-12(11)17-13(18)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18).
What are the key properties of 3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide?
3-amino-N-(2-bromo-4-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 3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55147503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).