3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide

C13H16BrClN2O — CID 107990193

IUPAC3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCN1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H16BrClN2O/c14-11-7-9(4-5-12(11)15)13(18)17-8-10-3-1-2-6-16-10/h4-5,7,10,16H,1-3,6,8H2,(H,17,18)
InChIKeyADLLOWIVAFVXBS-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.97
Rot. Bonds3

About 3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide

3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 107990193) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide
PubChem CID107990193
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCN1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H16BrClN2O/c14-11-7-9(4-5-12(11)15)13(18)17-8-10-3-1-2-6-16-10/h4-5,7,10,16H,1-3,6,8H2,(H,17,18)
InChIKeyADLLOWIVAFVXBS-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 81472136
3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539853
3-chloro-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806363
1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 113263742
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
N-(piperidin-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905604
4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 80537490
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide (CID 107990193) is 3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide is O=C(NCC1CCCCN1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is ADLLOWIVAFVXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-11-7-9(4-5-12(11)15)13(18)17-8-10-3-1-2-6-16-10/h4-5,7,10,16H,1-3,6,8H2,(H,17,18).
What are the key properties of 3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide?
3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 331.64 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 107990193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).