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

C14H16ClN3O3 — CID 62898768

IUPAC2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
SMILESO=C1CN(C(=O)CNC(=O)c2ccccc2Cl)CCCN1
InChIInChI=1S/C14H16ClN3O3/c15-11-5-2-1-4-10(11)14(21)17-8-13(20)18-7-3-6-16-12(19)9-18/h1-2,4-5H,3,6-9H2,(H,16,19)(H,17,21)
InChIKeyFWVPTNMZSGKBQI-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.42
Rot. Bonds3

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

2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide (PubChem CID 62898768) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
PubChem CID62898768
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
SMILESO=C1CN(C(=O)CNC(=O)c2ccccc2Cl)CCCN1
InChIInChI=1S/C14H16ClN3O3/c15-11-5-2-1-4-10(11)14(21)17-8-13(20)18-7-3-6-16-12(19)9-18/h1-2,4-5H,3,6-9H2,(H,16,19)(H,17,21)
InChIKeyFWVPTNMZSGKBQI-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide (CID 62898768) is 2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide is O=C1CN(C(=O)CNC(=O)c2ccccc2Cl)CCCN1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
The InChIKey is FWVPTNMZSGKBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c15-11-5-2-1-4-10(11)14(21)17-8-13(20)18-7-3-6-16-12(19)9-18/h1-2,4-5H,3,6-9H2,(H,16,19)(H,17,21).
What are the key properties of 2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
2-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 2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide is sourced from PubChem (CID 62898768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).