2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide

C14H18BrClN2O — CID 103765330

IUPAC2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCN1CCCC(CNC(=O)c2ccc(Cl)cc2Br)C1
InChIInChI=1S/C14H18BrClN2O/c1-18-6-2-3-10(9-18)8-17-14(19)12-5-4-11(16)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyQGHNRCYPQUHVIY-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.17
Rot. Bonds3

About 2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide

2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 103765330) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
PubChem CID103765330
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCN1CCCC(CNC(=O)c2ccc(Cl)cc2Br)C1
InChIInChI=1S/C14H18BrClN2O/c1-18-6-2-3-10(9-18)8-17-14(19)12-5-4-11(16)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyQGHNRCYPQUHVIY-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62815794
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 122148776
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56716852
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95213688
4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026989
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95207411
(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765515

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide (CID 103765330) is 2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide is CN1CCCC(CNC(=O)c2ccc(Cl)cc2Br)C1.
What is the InChIKey of 2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is QGHNRCYPQUHVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-18-6-2-3-10(9-18)8-17-14(19)12-5-4-11(16)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19).
What are the key properties of 2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide has a molecular weight of 345.67 g/mol, XLogP of 3.17, 3 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-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 103765330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).