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

C13H17BrClFN2O — CID 119764808

IUPAC1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)C1(N)CC1.Cl
InChIInChI=1S/C13H16BrFN2O.ClH/c1-2-17(12(18)13(16)5-6-13)8-9-7-10(14)3-4-11(9)15;/h3-4,7H,2,5-6,8,16H2,1H3;1H
InChIKeyVLTANORWTAYOSO-UHFFFAOYSA-N
MW351.65 g/mol
LogP2.85
Rot. Bonds4

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

1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119764808) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119764808
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC Name1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)C1(N)CC1.Cl
InChIInChI=1S/C13H16BrFN2O.ClH/c1-2-17(12(18)13(16)5-6-13)8-9-7-10(14)3-4-11(9)15;/h3-4,7H,2,5-6,8,16H2,1H3;1H
InChIKeyVLTANORWTAYOSO-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119312671
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CID 115190032
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
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2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide
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CID 55588082
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683545
4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride
CID 120591120
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189906
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119312649
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 55594554
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride (CID 119764808) is 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride is CCN(Cc1cc(Br)ccc1F)C(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is VLTANORWTAYOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O.ClH/c1-2-17(12(18)13(16)5-6-13)8-9-7-10(14)3-4-11(9)15;/h3-4,7H,2,5-6,8,16H2,1H3;1H.
What are the key properties of 1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 351.65 g/mol, XLogP of 2.85, 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-ethylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119764808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).