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

C14H16FN3O3 — CID 62895950

IUPAC3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
SMILESO=C1CN(C(=O)CNC(=O)c2cccc(F)c2)CCCN1
InChIInChI=1S/C14H16FN3O3/c15-11-4-1-3-10(7-11)14(21)17-8-13(20)18-6-2-5-16-12(19)9-18/h1,3-4,7H,2,5-6,8-9H2,(H,16,19)(H,17,21)
InChIKeyOIZWWRMWUHZVLT-UHFFFAOYSA-N
MW293.30 g/mol
LogP-0.10
Rot. Bonds3

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

3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide (PubChem CID 62895950) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
PubChem CID62895950
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
SMILESO=C1CN(C(=O)CNC(=O)c2cccc(F)c2)CCCN1
InChIInChI=1S/C14H16FN3O3/c15-11-4-1-3-10(7-11)14(21)17-8-13(20)18-6-2-5-16-12(19)9-18/h1,3-4,7H,2,5-6,8-9H2,(H,16,19)(H,17,21)
InChIKeyOIZWWRMWUHZVLT-UHFFFAOYSA-N
XLogP-0.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 64722179
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 62898768
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
3-fluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 66261045
4-[3-(3-fluorophenyl)prop-2-enoyl]-1,4-diazepan-2-one
CID 76976459
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717
2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
CID 175155114
3-fluoro-1-[2-[(3-fluorobenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120529785
3-bromo-N-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 87042205
3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 110712456
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 60680435

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide (CID 62895950) is 3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide is O=C1CN(C(=O)CNC(=O)c2cccc(F)c2)CCCN1.
What is the InChIKey of 3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
The InChIKey is OIZWWRMWUHZVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c15-11-4-1-3-10(7-11)14(21)17-8-13(20)18-6-2-5-16-12(19)9-18/h1,3-4,7H,2,5-6,8-9H2,(H,16,19)(H,17,21).
What are the key properties of 3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide?
3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide has a molecular weight of 293.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide is sourced from PubChem (CID 62895950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).