5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide

C16H22BrClN2O — CID 61034621

IUPAC5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C16H22BrClN2O/c1-16(2,3)20-8-6-12(7-9-20)19-15(21)13-10-11(17)4-5-14(13)18/h4-5,10,12H,6-9H2,1-3H3,(H,19,21)
InChIKeyUWCYNOLFUOJGNY-UHFFFAOYSA-N
MW373.72 g/mol
LogP4.10
Rot. Bonds2

About 5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide

5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide (PubChem CID 61034621) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is 5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
PubChem CID61034621
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C16H22BrClN2O/c1-16(2,3)20-8-6-12(7-9-20)19-15(21)13-10-11(17)4-5-14(13)18/h4-5,10,12H,6-9H2,1-3H3,(H,19,21)
InChIKeyUWCYNOLFUOJGNY-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
CID 62953534
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
CID 103754728
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
CID 170668441
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide?
The IUPAC name of 5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide (CID 61034621) is 5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide.
What is the SMILES notation for 5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide?
The canonical SMILES for 5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide is CC(C)(C)N1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide?
The InChIKey is UWCYNOLFUOJGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-16(2,3)20-8-6-12(7-9-20)19-15(21)13-10-11(17)4-5-14(13)18/h4-5,10,12H,6-9H2,1-3H3,(H,19,21).
What are the key properties of 5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide?
5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide has a molecular weight of 373.72 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide is sourced from PubChem (CID 61034621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).