N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride

C15H21BrClFN2O — CID 119312649

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)C1CCCCN1.Cl
InChIInChI=1S/C15H20BrFN2O.ClH/c1-2-19(15(20)14-5-3-4-8-18-14)10-11-9-12(16)6-7-13(11)17;/h6-7,9,14,18H,2-5,8,10H2,1H3;1H
InChIKeyHRTJLJSRIIRYCT-UHFFFAOYSA-N
MW379.70 g/mol
LogP3.50
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119312649) has the molecular formula C15H21BrClFN2O and a molecular weight of 379.70 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
PubChem CID119312649
Molecular FormulaC15H21BrClFN2O
Molecular Weight379.70 g/mol
Exact Mass378.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)C1CCCCN1.Cl
InChIInChI=1S/C15H20BrFN2O.ClH/c1-2-19(15(20)14-5-3-4-8-18-14)10-11-9-12(16)6-7-13(11)17;/h6-7,9,14,18H,2-5,8,10H2,1H3;1H
InChIKeyHRTJLJSRIIRYCT-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.70
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913
(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808185
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683545
(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
(2S)-N-[(2-cyanophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 104913445
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103808029
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride (CID 119312649) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride is CCN(Cc1cc(Br)ccc1F)C(=O)C1CCCCN1.Cl.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is HRTJLJSRIIRYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O.ClH/c1-2-19(15(20)14-5-3-4-8-18-14)10-11-9-12(16)6-7-13(11)17;/h6-7,9,14,18H,2-5,8,10H2,1H3;1H.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 379.70 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119312649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).