3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide

C14H18BrClN2O — CID 107953127

IUPAC3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
SMILESCC1CCCC(C)N1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H18BrClN2O/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-12(15)8-13(16)7-11/h6-10H,3-5H2,1-2H3,(H,17,19)
InChIKeyIVLGRFZLORLIPK-UHFFFAOYSA-N
MW345.67 g/mol
LogP4.01
Rot. Bonds2

About 3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide

3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide (PubChem CID 107953127) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
PubChem CID107953127
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
SMILESCC1CCCC(C)N1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H18BrClN2O/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-12(15)8-13(16)7-11/h6-10H,3-5H2,1-2H3,(H,17,19)
InChIKeyIVLGRFZLORLIPK-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
CID 78907821
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612
5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78906628
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
(3-bromo-5-chlorophenyl)-(2-methylazepan-1-yl)methanone
CID 114019994
N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 83015630
N-(2,6-dimethylpiperidin-1-yl)-4-hydroxybenzamide
CID 78909911
5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydroxybenzamide
CID 115279907
2-[(3-bromo-5-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107938194
N-(2,6-dimethylpiperidin-1-yl)-5-hydroxypyridine-3-carboxamide
CID 83016419
2,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-3-carboxamide
CID 107962323
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-bromo-5-chlorophenyl)methanone
CID 103827020

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide (CID 107953127) is 3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide is CC1CCCC(C)N1NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide?
The InChIKey is IVLGRFZLORLIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-12(15)8-13(16)7-11/h6-10H,3-5H2,1-2H3,(H,17,19).
What are the key properties of 3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide?
3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide has a molecular weight of 345.67 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide is sourced from PubChem (CID 107953127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).