4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide

C14H16ClN3O3 — CID 64722179

IUPAC4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
SMILESO=C1CN(C(=O)CNC(=O)c2ccc(Cl)cc2)CCCN1
InChIInChI=1S/C14H16ClN3O3/c15-11-4-2-10(3-5-11)14(21)17-8-13(20)18-7-1-6-16-12(19)9-18/h2-5H,1,6-9H2,(H,16,19)(H,17,21)
InChIKeyWSURHASQSXFQPL-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.42
Rot. Bonds3

About 4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide

4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide (PubChem CID 64722179) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
PubChem CID64722179
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
SMILESO=C1CN(C(=O)CNC(=O)c2ccc(Cl)cc2)CCCN1
InChIInChI=1S/C14H16ClN3O3/c15-11-4-2-10(3-5-11)14(21)17-8-13(20)18-7-1-6-16-12(19)9-18/h2-5H,1,6-9H2,(H,16,19)(H,17,21)
InChIKeyWSURHASQSXFQPL-UHFFFAOYSA-N
XLogP0.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 62898768
3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 62895950
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine
CID 145139182
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 4779688
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174
4-[2-(2,6-dichlorophenyl)acetyl]-1,4-diazepan-2-one
CID 62898920
4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
CID 65366267
4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963
4-[3,3-bis(4-chlorophenyl)propanoyl]piperazin-2-one;4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 158029999
2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
CID 175155114

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide (CID 64722179) is 4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide is O=C1CN(C(=O)CNC(=O)c2ccc(Cl)cc2)CCCN1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
The InChIKey is WSURHASQSXFQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c15-11-4-2-10(3-5-11)14(21)17-8-13(20)18-7-1-6-16-12(19)9-18/h2-5H,1,6-9H2,(H,16,19)(H,17,21).
What are the key properties of 4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide has a molecular weight of 309.75 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide is sourced from PubChem (CID 64722179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).