4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide

C16H22BrClN2O — CID 80972236

IUPAC4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C16H22BrClN2O/c1-3-8-20-9-6-13(7-10-20)19(2)16(21)12-4-5-14(17)15(18)11-12/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyAKBBAAFSZRYUGA-UHFFFAOYSA-N
MW373.72 g/mol
LogP4.05
Rot. Bonds4

About 4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide

4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 80972236) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID80972236
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C16H22BrClN2O/c1-3-8-20-9-6-13(7-10-20)19(2)16(21)12-4-5-14(17)15(18)11-12/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyAKBBAAFSZRYUGA-UHFFFAOYSA-N
XLogP4.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706
3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 103841606
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051847
2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 61044792
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 63978585
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61041943
2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61138918

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide (CID 80972236) is 4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(N(C)C(=O)c2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is AKBBAAFSZRYUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-3-8-20-9-6-13(7-10-20)19(2)16(21)12-4-5-14(17)15(18)11-12/h4-5,11,13H,3,6-10H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 373.72 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 80972236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).