4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide

C12H12Cl2N2O3 — CID 78870041

IUPAC4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)NCC(O)c2ccco2)cc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2O3/c1-16-8(5-7(13)11(16)14)12(18)15-6-9(17)10-3-2-4-19-10/h2-5,9,17H,6H2,1H3,(H,15,18)
InChIKeyJIKWKZUMCPSTAT-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.39
Rot. Bonds4

About 4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 78870041) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.14 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
PubChem CID78870041
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC Name4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)NCC(O)c2ccco2)cc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2O3/c1-16-8(5-7(13)11(16)14)12(18)15-6-9(17)10-3-2-4-19-10/h2-5,9,17H,6H2,1H3,(H,15,18)
InChIKeyJIKWKZUMCPSTAT-UHFFFAOYSA-N
XLogP2.39
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 75381546
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674269
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 110912943
2-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methyltriazole-4-carboxamide
CID 78867509
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-nitrobenzamide
CID 78867811
1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide
CID 97331187
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide (CID 78870041) is 4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)NCC(O)c2ccco2)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is JIKWKZUMCPSTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c1-16-8(5-7(13)11(16)14)12(18)15-6-9(17)10-3-2-4-19-10/h2-5,9,17H,6H2,1H3,(H,15,18).
What are the key properties of 4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 303.14 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 78870041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).