2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide

C11H17ClN2O2 — CID 106178247

IUPAC2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NCCC1=CCCC1
InChIInChI=1S/C11H17ClN2O2/c1-8(12)10(15)14-11(16)13-7-6-9-4-2-3-5-9/h4,8H,2-3,5-7H2,1H3,(H2,13,14,15,16)
InChIKeyXZANVMIRIOKMDB-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide

2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide (PubChem CID 106178247) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide
PubChem CID106178247
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NCCC1=CCCC1
InChIInChI=1S/C11H17ClN2O2/c1-8(12)10(15)14-11(16)13-7-6-9-4-2-3-5-9/h4,8H,2-3,5-7H2,1H3,(H2,13,14,15,16)
InChIKeyXZANVMIRIOKMDB-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 106178518
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106177489
3-chloro-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]propanamide
CID 103603928
2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106178401
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106178507
3-[[2-(cyclopenten-1-yl)ethylcarbamoylamino]methyl]-5-methylhexanoic acid
CID 106178353
(2S,3R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 107855964
methyl 2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoate
CID 3551359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide (CID 106178247) is 2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide is CC(Cl)C(=O)NC(=O)NCCC1=CCCC1.
What is the InChIKey of 2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide?
The InChIKey is XZANVMIRIOKMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-8(12)10(15)14-11(16)13-7-6-9-4-2-3-5-9/h4,8H,2-3,5-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide?
2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide has a molecular weight of 244.72 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide is sourced from PubChem (CID 106178247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).