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

C8H13ClN2O2 — CID 130608806

IUPAC1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC(=O)CCl)CCCC1
InChIInChI=1S/C8H13ClN2O2/c9-5-6(12)11-8(7(10)13)3-1-2-4-8/h1-5H2,(H2,10,13)(H,11,12)
InChIKeyOWSVIHRJPLUICX-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.14
Rot. Bonds3

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

1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide (PubChem CID 130608806) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide
PubChem CID130608806
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC(=O)CCl)CCCC1
InChIInChI=1S/C8H13ClN2O2/c9-5-6(12)11-8(7(10)13)3-1-2-4-8/h1-5H2,(H2,10,13)(H,11,12)
InChIKeyOWSVIHRJPLUICX-UHFFFAOYSA-N
XLogP0.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropanoylamino)cyclohexane-1-carboxamide
CID 119296087
1-(4-methylpentanoylamino)cyclopentane-1-carboxamide
CID 70921490
1-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119296103
1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119735686
1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119735692
1-acetamidocyclobutane-1-carboxamide
CID 58720910
ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate
CID 155893544
1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide
CID 146088416
2-chloro-N-(1-ethylcyclohexyl)acetamide
CID 58186241
1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 119735695
formic acid;1-[[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 154915324
N-[1-(2-chloroacetyl)cyclopentyl]acetamide
CID 104701020

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide (CID 130608806) is 1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide is NC(=O)C1(NC(=O)CCl)CCCC1.
What is the InChIKey of 1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide?
The InChIKey is OWSVIHRJPLUICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c9-5-6(12)11-8(7(10)13)3-1-2-4-8/h1-5H2,(H2,10,13)(H,11,12).
What are the key properties of 1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide?
1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide has a molecular weight of 204.66 g/mol, XLogP of 0.14, 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]cyclopentane-1-carboxamide is sourced from PubChem (CID 130608806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).