1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride

C16H23BrClFN2O — CID 119312671

IUPAC1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C16H22BrFN2O.ClH/c1-2-20(11-12-10-13(17)6-7-14(12)18)15(21)16(19)8-4-3-5-9-16;/h6-7,10H,2-5,8-9,11,19H2,1H3;1H
InChIKeyHBKHSHRFODEZGA-UHFFFAOYSA-N
MW393.73 g/mol
LogP4.02
Rot. Bonds4

About 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride

1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119312671) has the molecular formula C16H23BrClFN2O and a molecular weight of 393.73 g/mol. Its IUPAC name is 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119312671
Molecular FormulaC16H23BrClFN2O
Molecular Weight393.73 g/mol
Exact Mass392.07
IUPAC Name1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C16H22BrFN2O.ClH/c1-2-20(11-12-10-13(17)6-7-14(12)18)15(21)16(19)8-4-3-5-9-16;/h6-7,10H,2-5,8-9,11,19H2,1H3;1H
InChIKeyHBKHSHRFODEZGA-UHFFFAOYSA-N
XLogP4.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.73
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 119764808
1-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190032
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119312649
2-(5-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066408
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55588082
4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride
CID 120591120
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683545
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119278393
1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119266618
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 120591123

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride (CID 119312671) is 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride is CCN(Cc1cc(Br)ccc1F)C(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HBKHSHRFODEZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O.ClH/c1-2-20(11-12-10-13(17)6-7-14(12)18)15(21)16(19)8-4-3-5-9-16;/h6-7,10H,2-5,8-9,11,19H2,1H3;1H.
What are the key properties of 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 393.73 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119312671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).