2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

C11H19ClN2O2 — CID 54592450

IUPAC2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESO=C(CCl)NCCCN1CCCCCC1=O
InChIInChI=1S/C11H19ClN2O2/c12-9-10(15)13-6-4-8-14-7-3-1-2-5-11(14)16/h1-9H2,(H,13,15)
InChIKeyZQDIXVGLMKCZKU-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.13
Rot. Bonds5

About 2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (PubChem CID 54592450) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
PubChem CID54592450
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESO=C(CCl)NCCCN1CCCCCC1=O
InChIInChI=1S/C11H19ClN2O2/c12-9-10(15)13-6-4-8-14-7-3-1-2-5-11(14)16/h1-9H2,(H,13,15)
InChIKeyZQDIXVGLMKCZKU-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166506421
2-(4-chlorophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78779568
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
3,5-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802475
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
1-(3-chloropropyl)azepan-2-one
CID 14811847
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (CID 54592450) is 2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is O=C(CCl)NCCCN1CCCCCC1=O.
What is the InChIKey of 2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The InChIKey is ZQDIXVGLMKCZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c12-9-10(15)13-6-4-8-14-7-3-1-2-5-11(14)16/h1-9H2,(H,13,15).
What are the key properties of 2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide has a molecular weight of 246.74 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is sourced from PubChem (CID 54592450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).