2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide

C21H23N3O3 — CID 119069105

IUPAC2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
SMILESCC(=O)N1CCCN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)CC1
InChIInChI=1S/C21H23N3O3/c1-15(25)23-10-5-11-24(13-12-23)21(27)17-7-4-6-16(14-17)18-8-2-3-9-19(18)20(22)26/h2-4,6-9,14H,5,10-13H2,1H3,(H2,22,26)
InChIKeyHMGYRTJWBIIVNQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.15
Rot. Bonds3

About 2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide

2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide (PubChem CID 119069105) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
PubChem CID119069105
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
SMILESCC(=O)N1CCCN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)CC1
InChIInChI=1S/C21H23N3O3/c1-15(25)23-10-5-11-24(13-12-23)21(27)17-7-4-6-16(14-17)18-8-2-3-9-19(18)20(22)26/h2-4,6-9,14H,5,10-13H2,1H3,(H2,22,26)
InChIKeyHMGYRTJWBIIVNQ-UHFFFAOYSA-N
XLogP2.15
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110755413
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2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide
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3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
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1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
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CID 122566998
1-[4-[3-(1H-benzimidazol-2-yl)benzoyl]-1,4-diazepan-1-yl]ethanone
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1-[3-(azetidine-1-carbonyl)phenyl]ethanone
CID 146014974
(4-cyclopentyl-1,4-diazepan-1-yl)-[3-[2-(hydroxymethyl)phenyl]phenyl]methanone
CID 119064582
[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
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3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
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3-(azecane-1-carbonyl)benzamide
CID 66696565

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide (CID 119069105) is 2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide is CC(=O)N1CCCN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)CC1.
What is the InChIKey of 2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide?
The InChIKey is HMGYRTJWBIIVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(25)23-10-5-11-24(13-12-23)21(27)17-7-4-6-16(14-17)18-8-2-3-9-19(18)20(22)26/h2-4,6-9,14H,5,10-13H2,1H3,(H2,22,26).
What are the key properties of 2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide?
2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 119069105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).