N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride

C15H21BrClFN2O — CID 119673449

IUPACN-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(Br)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C15H20BrFN2O.ClH/c1-10(11-4-6-18-7-5-11)8-15(20)19-14-3-2-12(16)9-13(14)17;/h2-3,9-11,18H,4-8H2,1H3,(H,19,20);1H
InChIKeyHPEAGBLACDHQTN-UHFFFAOYSA-N
MW379.70 g/mol
LogP3.97
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119673449) has the molecular formula C15H21BrClFN2O and a molecular weight of 379.70 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119673449
Molecular FormulaC15H21BrClFN2O
Molecular Weight379.70 g/mol
Exact Mass378.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(Br)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C15H20BrFN2O.ClH/c1-10(11-4-6-18-7-5-11)8-15(20)19-14-3-2-12(16)9-13(14)17;/h2-3,9-11,18H,4-8H2,1H3,(H,19,20);1H
InChIKeyHPEAGBLACDHQTN-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.70
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607565
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119707018
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119764793

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119673449) is N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccc(Br)cc1F)C1CCNCC1.Cl.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is HPEAGBLACDHQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O.ClH/c1-10(11-4-6-18-7-5-11)8-15(20)19-14-3-2-12(16)9-13(14)17;/h2-3,9-11,18H,4-8H2,1H3,(H,19,20);1H.
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 379.70 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119673449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).