2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

C13H14BrClN2O2 — CID 103765334

IUPAC2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2ccc(Cl)cc2Br)CCC1=O
InChIInChI=1S/C13H14BrClN2O2/c1-17-7-9(3-5-12(17)18)16-13(19)10-4-2-8(15)6-11(10)14/h2,4,6,9H,3,5,7H2,1H3,(H,16,19)
InChIKeyZNKYZZVWLDVUDS-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.45
Rot. Bonds2

About 2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (PubChem CID 103765334) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
PubChem CID103765334
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2ccc(Cl)cc2Br)CCC1=O
InChIInChI=1S/C13H14BrClN2O2/c1-17-7-9(3-5-12(17)18)16-13(19)10-4-2-8(15)6-11(10)14/h2,4,6,9H,3,5,7H2,1H3,(H,16,19)
InChIKeyZNKYZZVWLDVUDS-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (CID 103765334) is 2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is CN1CC(NC(=O)c2ccc(Cl)cc2Br)CCC1=O.
What is the InChIKey of 2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The InChIKey is ZNKYZZVWLDVUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c1-17-7-9(3-5-12(17)18)16-13(19)10-4-2-8(15)6-11(10)14/h2,4,6,9H,3,5,7H2,1H3,(H,16,19).
What are the key properties of 2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide has a molecular weight of 345.62 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 103765334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).