3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide

C14H18BrClN2O — CID 107940194

IUPAC3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(Cl)cc(Br)c2)CCNCC1
InChIInChI=1S/C14H18BrClN2O/c1-14(2-4-17-5-3-14)9-18-13(19)10-6-11(15)8-12(16)7-10/h6-8,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyYXIFUKYIHCZVDL-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.22
Rot. Bonds3

About 3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide

3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 107940194) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide
PubChem CID107940194
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(Cl)cc(Br)c2)CCNCC1
InChIInChI=1S/C14H18BrClN2O/c1-14(2-4-17-5-3-14)9-18-13(19)10-6-11(15)8-12(16)7-10/h6-8,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyYXIFUKYIHCZVDL-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 107952902
3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 104957596
3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 107952216
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114096121
4-[[(3-bromo-5-chlorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 107938272
3-bromo-5-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887847
1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 99821300
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162922
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide (CID 107940194) is 3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide is CC1(CNC(=O)c2cc(Cl)cc(Br)c2)CCNCC1.
What is the InChIKey of 3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is YXIFUKYIHCZVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-14(2-4-17-5-3-14)9-18-13(19)10-6-11(15)8-12(16)7-10/h6-8,17H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide?
3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 345.67 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 107940194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).