4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

C16H22BrClN2O — CID 81295151

IUPAC4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(CCCNC(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C16H22BrClN2O/c1-12-5-9-20(10-6-12)8-2-7-19-16(21)13-3-4-14(17)15(18)11-13/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)
InChIKeyLQSJPJQTLWQHAS-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.95
Rot. Bonds5

About 4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 81295151) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID81295151
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(CCCNC(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C16H22BrClN2O/c1-12-5-9-20(10-6-12)8-2-7-19-16(21)13-3-4-14(17)15(18)11-13/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)
InChIKeyLQSJPJQTLWQHAS-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 78904784
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55856670
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
4-bromo-3-chloro-N-(3-methylsulfonylpropyl)benzamide
CID 80972971
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
7-chloro-N-[4-(4-methylpiperidin-1-yl)butyl]-1,3-benzodioxole-5-carboxamide
CID 55716363
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 81295151) is 4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is CC1CCN(CCCNC(=O)c2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of 4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is LQSJPJQTLWQHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-12-5-9-20(10-6-12)8-2-7-19-16(21)13-3-4-14(17)15(18)11-13/h3-4,11-12H,2,5-10H2,1H3,(H,19,21).
What are the key properties of 4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 373.72 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 81295151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).