2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide

C11H13Cl2NO2S — CID 111441537

IUPAC2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(O)c2ccsc2)CC1(Cl)Cl
InChIInChI=1S/C11H13Cl2NO2S/c1-10(6-11(10,12)13)9(16)14-4-8(15)7-2-3-17-5-7/h2-3,5,8,15H,4,6H2,1H3,(H,14,16)
InChIKeyJLHUCLGPDHYTFU-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.48
Rot. Bonds4

About 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 111441537) 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-ylethyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide
PubChem CID111441537
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(O)c2ccsc2)CC1(Cl)Cl
InChIInChI=1S/C11H13Cl2NO2S/c1-10(6-11(10,12)13)9(16)14-4-8(15)7-2-3-17-5-7/h2-3,5,8,15H,4,6H2,1H3,(H,14,16)
InChIKeyJLHUCLGPDHYTFU-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

2,2-dichloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylcyclopropane-1-carboxamide
CID 110888815
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide
CID 113269287
1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119332175
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide
CID 106435444
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide
CID 106435490
(E)-4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 106434672
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide (CID 111441537) is 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCC(O)c2ccsc2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is JLHUCLGPDHYTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c1-10(6-11(10,12)13)9(16)14-4-8(15)7-2-3-17-5-7/h2-3,5,8,15H,4,6H2,1H3,(H,14,16).
What are the key properties of 2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 294.20 g/mol, XLogP of 2.48, 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-ylethyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 111441537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).