N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide

C15H20BrClN2O — CID 103763914

IUPACN-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
SMILESO=C(NCCN1CCCCCC1)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H20BrClN2O/c16-14-11-12(17)5-6-13(14)15(20)18-7-10-19-8-3-1-2-4-9-19/h5-6,11H,1-4,7-10H2,(H,18,20)
InChIKeyCTBNFNNVZZSANL-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.71
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide

N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide (PubChem CID 103763914) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
PubChem CID103763914
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
SMILESO=C(NCCN1CCCCCC1)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H20BrClN2O/c16-14-11-12(17)5-6-13(14)15(20)18-7-10-19-8-3-1-2-4-9-19/h5-6,11H,1-4,7-10H2,(H,18,20)
InChIKeyCTBNFNNVZZSANL-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
CID 79723555
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608
2-bromo-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60668704
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 78904784
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
2-amino-4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79713946
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide (CID 103763914) is N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide is O=C(NCCN1CCCCCC1)c1ccc(Cl)cc1Br.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide?
The InChIKey is CTBNFNNVZZSANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c16-14-11-12(17)5-6-13(14)15(20)18-7-10-19-8-3-1-2-4-9-19/h5-6,11H,1-4,7-10H2,(H,18,20).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide?
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide has a molecular weight of 359.70 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 103763914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).