2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide

C11H13Cl2NO2S — CID 71979797

IUPAC2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(O)(CNC(=O)C1CC1(Cl)Cl)c1ccsc1
InChIInChI=1S/C11H13Cl2NO2S/c1-10(16,7-2-3-17-5-7)6-14-9(15)8-4-11(8,12)13/h2-3,5,8,16H,4,6H2,1H3,(H,14,15)
InChIKeyXVXOMPKVGRFPSH-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.27
Rot. Bonds4

About 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide

2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 71979797) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide
PubChem CID71979797
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(O)(CNC(=O)C1CC1(Cl)Cl)c1ccsc1
InChIInChI=1S/C11H13Cl2NO2S/c1-10(16,7-2-3-17-5-7)6-14-9(15)8-4-11(8,12)13/h2-3,5,8,16H,4,6H2,1H3,(H,14,15)
InChIKeyXVXOMPKVGRFPSH-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 111452200
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 111452112
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide
CID 111720032
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide
CID 111519809
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
CID 111509560
(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide
CID 96567072

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide (CID 71979797) is 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide is CC(O)(CNC(=O)C1CC1(Cl)Cl)c1ccsc1.
What is the InChIKey of 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is XVXOMPKVGRFPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c1-10(16,7-2-3-17-5-7)6-14-9(15)8-4-11(8,12)13/h2-3,5,8,16H,4,6H2,1H3,(H,14,15).
What are the key properties of 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 294.20 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71979797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).