3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide

C17H22ClN3O3 — CID 55694248

IUPAC3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NCCN1CCCCCC1=O
InChIInChI=1S/C17H22ClN3O3/c18-14-6-4-5-13(11-14)17(24)20-12-15(22)19-8-10-21-9-3-1-2-7-16(21)23/h4-6,11H,1-3,7-10,12H2,(H,19,22)(H,20,24)
InChIKeyMVXBVXGFKRMCIZ-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.59
Rot. Bonds6

About 3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide

3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide (PubChem CID 55694248) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide
PubChem CID55694248
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NCCN1CCCCCC1=O
InChIInChI=1S/C17H22ClN3O3/c18-14-6-4-5-13(11-14)17(24)20-12-15(22)19-8-10-21-9-3-1-2-7-16(21)23/h4-6,11H,1-3,7-10,12H2,(H,19,22)(H,20,24)
InChIKeyMVXBVXGFKRMCIZ-UHFFFAOYSA-N
XLogP1.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46537539
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-acetamido-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 110743652
3,5-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802475
3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515028
N-[2-oxo-2-(propylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9163457
3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide
CID 9218955
3-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707208

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide (CID 55694248) is 3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)NCCN1CCCCCC1=O.
What is the InChIKey of 3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide?
The InChIKey is MVXBVXGFKRMCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-14-6-4-5-13(11-14)17(24)20-12-15(22)19-8-10-21-9-3-1-2-7-16(21)23/h4-6,11H,1-3,7-10,12H2,(H,19,22)(H,20,24).
What are the key properties of 3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide?
3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide has a molecular weight of 351.83 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 55694248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).