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

C14H18BrClN2O — CID 107990344

IUPAC3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H18BrClN2O/c15-12-8-11(3-4-13(12)16)14(19)18-7-5-10-2-1-6-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyNAEWSOYFONHXPD-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.22
Rot. Bonds4

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

3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 107990344) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID107990344
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H18BrClN2O/c15-12-8-11(3-4-13(12)16)14(19)18-7-5-10-2-1-6-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyNAEWSOYFONHXPD-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 119558128
N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 119558095
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide (CID 107990344) is 3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is NAEWSOYFONHXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c15-12-8-11(3-4-13(12)16)14(19)18-7-5-10-2-1-6-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide?
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 345.67 g/mol, XLogP of 3.22, 4 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-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 107990344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).