4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide

C12H18Cl2N2O2 — CID 103862250

IUPAC4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
SMILESCC(CO)CCCNC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C12H18Cl2N2O2/c1-8(7-17)4-3-5-15-12(18)10-6-9(13)11(14)16(10)2/h6,8,17H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyGJLNRFFIQJPPAK-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.47
Rot. Bonds6

About 4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide (PubChem CID 103862250) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
PubChem CID103862250
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
SMILESCC(CO)CCCNC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C12H18Cl2N2O2/c1-8(7-17)4-3-5-15-12(18)10-6-9(13)11(14)16(10)2/h6,8,17H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyGJLNRFFIQJPPAK-UHFFFAOYSA-N
XLogP2.47
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dichloro-N-(3-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
CID 111460726
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674269
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
CID 113340834
N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
CID 103862125
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
1-ethyl-N-(5-hydroxy-4-methylpentyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103862380
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 43171651
4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114618630
4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
CID 66178501
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide (CID 103862250) is 4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide is CC(CO)CCCNC(=O)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of 4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is GJLNRFFIQJPPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2/c1-8(7-17)4-3-5-15-12(18)10-6-9(13)11(14)16(10)2/h6,8,17H,3-5,7H2,1-2H3,(H,15,18).
What are the key properties of 4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 293.19 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 103862250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).