2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide

C13H14BrClN2O2 — CID 113257291

IUPAC2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
SMILESO=C(NC1CCCCNC1=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H14BrClN2O2/c14-10-7-8(15)4-5-9(10)12(18)17-11-3-1-2-6-16-13(11)19/h4-5,7,11H,1-3,6H2,(H,16,19)(H,17,18)
InChIKeyAQWGPFNZCUJHOR-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.50
Rot. Bonds2

About 2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide

2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide (PubChem CID 113257291) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
PubChem CID113257291
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
SMILESO=C(NC1CCCCNC1=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H14BrClN2O2/c14-10-7-8(15)4-5-9(10)12(18)17-11-3-1-2-6-16-13(11)19/h4-5,7,11H,1-3,6H2,(H,16,19)(H,17,18)
InChIKeyAQWGPFNZCUJHOR-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
CID 43704077
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea
CID 2805571
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide
CID 70764541
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
CID 120626685

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide (CID 113257291) is 2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide is O=C(NC1CCCCNC1=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide?
The InChIKey is AQWGPFNZCUJHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c14-10-7-8(15)4-5-9(10)12(18)17-11-3-1-2-6-16-13(11)19/h4-5,7,11H,1-3,6H2,(H,16,19)(H,17,18).
What are the key properties of 2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide?
2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide has a molecular weight of 345.62 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide is sourced from PubChem (CID 113257291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).