3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide

C16H22BrClN2O — CID 103826706

IUPAC3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C16H22BrClN2O/c1-3-6-20-7-4-15(5-8-20)19(2)16(21)12-9-13(17)11-14(18)10-12/h9-11,15H,3-8H2,1-2H3
InChIKeyBIRNPXBFBMRXFT-UHFFFAOYSA-N
MW373.72 g/mol
LogP4.05
Rot. Bonds4

About 3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide

3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 103826706) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID103826706
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C16H22BrClN2O/c1-3-6-20-7-4-15(5-8-20)19(2)16(21)12-9-13(17)11-14(18)10-12/h9-11,15H,3-8H2,1-2H3
InChIKeyBIRNPXBFBMRXFT-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

2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 61044792
4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61041943
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051847
2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61138918
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 103841606
6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 63978585
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide (CID 103826706) is 3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(N(C)C(=O)c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is BIRNPXBFBMRXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-3-6-20-7-4-15(5-8-20)19(2)16(21)12-9-13(17)11-14(18)10-12/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
3-bromo-5-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 3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 103826706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).