(3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone

C13H15BrFNO — CID 116568928

IUPAC(3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone
SMILESNC1CCCC(C(=O)c2cc(Br)ccc2F)C1
InChIInChI=1S/C13H15BrFNO/c14-9-4-5-12(15)11(7-9)13(17)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2
InChIKeyDPGYCJRHGIIGFW-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.29
Rot. Bonds2

About (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone

(3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone (PubChem CID 116568928) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone
PubChem CID116568928
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name(3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone
SMILESNC1CCCC(C(=O)c2cc(Br)ccc2F)C1
InChIInChI=1S/C13H15BrFNO/c14-9-4-5-12(15)11(7-9)13(17)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2
InChIKeyDPGYCJRHGIIGFW-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone 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

(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686979
trans-(1R,3R)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686974
(2-amino-5-bromophenyl)-cyclopentylmethanone
CID 66998843
(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
CID 116568844
(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79742823
2-[(3-aminocyclohexanecarbonyl)amino]-5-bromobenzoic acid
CID 63046627
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119764011
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(5-bromo-2-fluorophenyl)methanone
CID 43596086
(2-amino-4-bromophenyl)-cyclopentylmethanone
CID 116591688
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone (CID 116568928) is (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone is NC1CCCC(C(=O)c2cc(Br)ccc2F)C1.
What is the InChIKey of (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone?
The InChIKey is DPGYCJRHGIIGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c14-9-4-5-12(15)11(7-9)13(17)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2.
What are the key properties of (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone?
(3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone has a molecular weight of 300.17 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 116568928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).