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

C13H16BrClN2O — CID 81295068

IUPAC4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H16BrClN2O/c14-11-2-1-10(7-12(11)15)13(18)17-8-9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2,(H,17,18)
InChIKeyWTVQBPUHSGOTKJ-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.83
Rot. Bonds3

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

4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 81295068) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
PubChem CID81295068
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H16BrClN2O/c14-11-2-1-10(7-12(11)15)13(18)17-8-9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2,(H,17,18)
InChIKeyWTVQBPUHSGOTKJ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
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4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
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4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
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4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide
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2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
CID 114018481
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
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CID 103793623

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide (CID 81295068) is 4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide is O=C(NCC1CCNCC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is WTVQBPUHSGOTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-11-2-1-10(7-12(11)15)13(18)17-8-9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2,(H,17,18).
What are the key properties of 4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide?
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 331.64 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 81295068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).