1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide

C9H15ClN2O2 — CID 146088416

IUPAC1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1(NC(=O)CCl)C(N)=O
InChIInChI=1S/C9H15ClN2O2/c1-6-3-2-4-9(6,8(11)14)12-7(13)5-10/h6H,2-5H2,1H3,(H2,11,14)(H,12,13)
InChIKeyPKBIIPQQNSILIV-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.39
Rot. Bonds3

About 1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide

1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide (PubChem CID 146088416) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide
PubChem CID146088416
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1(NC(=O)CCl)C(N)=O
InChIInChI=1S/C9H15ClN2O2/c1-6-3-2-4-9(6,8(11)14)12-7(13)5-10/h6H,2-5H2,1H3,(H2,11,14)(H,12,13)
InChIKeyPKBIIPQQNSILIV-UHFFFAOYSA-N
XLogP0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide (CID 146088416) is 1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide is CC1CCCC1(NC(=O)CCl)C(N)=O.
What is the InChIKey of 1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide?
The InChIKey is PKBIIPQQNSILIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-6-3-2-4-9(6,8(11)14)12-7(13)5-10/h6H,2-5H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide?
1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide has a molecular weight of 218.68 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 146088416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).