1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide

C17H19ClN2O2 — CID 47088064

IUPAC1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide
SMILESC#CCNC(=O)CNC(=O)C1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C17H19ClN2O2/c1-2-10-19-15(21)12-20-16(22)17(8-3-4-9-17)13-6-5-7-14(18)11-13/h1,5-7,11H,3-4,8-10,12H2,(H,19,21)(H,20,22)
InChIKeyCUUFDABMYMZASC-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.02
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide

1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide (PubChem CID 47088064) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide
PubChem CID47088064
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide
SMILESC#CCNC(=O)CNC(=O)C1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C17H19ClN2O2/c1-2-10-19-15(21)12-20-16(22)17(8-3-4-9-17)13-6-5-7-14(18)11-13/h1,5-7,11H,3-4,8-10,12H2,(H,19,21)(H,20,22)
InChIKeyCUUFDABMYMZASC-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 60566039
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005
1-(3-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]cyclobutane-1-carboxamide
CID 51078722
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide (CID 47088064) is 1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide is C#CCNC(=O)CNC(=O)C1(c2cccc(Cl)c2)CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is CUUFDABMYMZASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-10-19-15(21)12-20-16(22)17(8-3-4-9-17)13-6-5-7-14(18)11-13/h1,5-7,11H,3-4,8-10,12H2,(H,19,21)(H,20,22).
What are the key properties of 1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide?
1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 47088064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).