2-[[2-(azepan-1-yl)acetyl]amino]benzamide

C15H21N3O2 — CID 17379611

IUPAC2-[[2-(azepan-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCCCCC1
InChIInChI=1S/C15H21N3O2/c16-15(20)12-7-3-4-8-13(12)17-14(19)11-18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-11H2,(H2,16,20)(H,17,19)
InChIKeyZXRWAVBRLWYPDS-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.60
Rot. Bonds4

About 2-[[2-(azepan-1-yl)acetyl]amino]benzamide

2-[[2-(azepan-1-yl)acetyl]amino]benzamide (PubChem CID 17379611) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[2-(azepan-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(azepan-1-yl)acetyl]amino]benzamide
PubChem CID17379611
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[2-(azepan-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCCCCC1
InChIInChI=1S/C15H21N3O2/c16-15(20)12-7-3-4-8-13(12)17-14(19)11-18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-11H2,(H2,16,20)(H,17,19)
InChIKeyZXRWAVBRLWYPDS-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azepan-1-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(azepan-1-yl)acetyl]amino]benzamide (CID 17379611) is 2-[[2-(azepan-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(azepan-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(azepan-1-yl)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN1CCCCCC1.
What is the InChIKey of 2-[[2-(azepan-1-yl)acetyl]amino]benzamide?
The InChIKey is ZXRWAVBRLWYPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-15(20)12-7-3-4-8-13(12)17-14(19)11-18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-11H2,(H2,16,20)(H,17,19).
What are the key properties of 2-[[2-(azepan-1-yl)acetyl]amino]benzamide?
2-[[2-(azepan-1-yl)acetyl]amino]benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azepan-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 17379611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).