N-(2-chloroacetyl)-4-methylazepane-1-carboxamide

C10H17ClN2O2 — CID 63625647

IUPACN-(2-chloroacetyl)-4-methylazepane-1-carboxamide
SMILESCC1CCCN(C(=O)NC(=O)CCl)CC1
InChIInChI=1S/C10H17ClN2O2/c1-8-3-2-5-13(6-4-8)10(15)12-9(14)7-11/h8H,2-7H2,1H3,(H,12,14,15)
InChIKeyQYQMDMMUWPKGDA-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.58
Rot. Bonds1

About N-(2-chloroacetyl)-4-methylazepane-1-carboxamide

N-(2-chloroacetyl)-4-methylazepane-1-carboxamide (PubChem CID 63625647) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is N-(2-chloroacetyl)-4-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)-4-methylazepane-1-carboxamide
PubChem CID63625647
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC NameN-(2-chloroacetyl)-4-methylazepane-1-carboxamide
SMILESCC1CCCN(C(=O)NC(=O)CCl)CC1
InChIInChI=1S/C10H17ClN2O2/c1-8-3-2-5-13(6-4-8)10(15)12-9(14)7-11/h8H,2-7H2,1H3,(H,12,14,15)
InChIKeyQYQMDMMUWPKGDA-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
CID 43146182
N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 103500767
3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62942046
1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide
CID 43146143
N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide
CID 43146357
N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 115560990
N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64596602
5-chloro-1-(4-methylazepan-1-yl)pentan-1-one
CID 63623010
3-methyl-3-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 64700727
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
2-bromo-1-(4-methylazepan-1-yl)ethanone
CID 63679167

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-4-methylazepane-1-carboxamide?
The IUPAC name of N-(2-chloroacetyl)-4-methylazepane-1-carboxamide (CID 63625647) is N-(2-chloroacetyl)-4-methylazepane-1-carboxamide.
What is the SMILES notation for N-(2-chloroacetyl)-4-methylazepane-1-carboxamide?
The canonical SMILES for N-(2-chloroacetyl)-4-methylazepane-1-carboxamide is CC1CCCN(C(=O)NC(=O)CCl)CC1.
What is the InChIKey of N-(2-chloroacetyl)-4-methylazepane-1-carboxamide?
The InChIKey is QYQMDMMUWPKGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-8-3-2-5-13(6-4-8)10(15)12-9(14)7-11/h8H,2-7H2,1H3,(H,12,14,15).
What are the key properties of N-(2-chloroacetyl)-4-methylazepane-1-carboxamide?
N-(2-chloroacetyl)-4-methylazepane-1-carboxamide has a molecular weight of 232.71 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-4-methylazepane-1-carboxamide is sourced from PubChem (CID 63625647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).