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

C13H20Cl2N2O2 — CID 66178501

IUPAC4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C13H20Cl2N2O2/c1-8(2)6-13(3,19)7-16-12(18)10-5-9(14)11(15)17(10)4/h5,8,19H,6-7H2,1-4H3,(H,16,18)
InChIKeyARDNAFVWQMTHSQ-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.86
Rot. Bonds5

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

4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide (PubChem CID 66178501) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
PubChem CID66178501
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C13H20Cl2N2O2/c1-8(2)6-13(3,19)7-16-12(18)10-5-9(14)11(15)17(10)4/h5,8,19H,6-7H2,1-4H3,(H,16,18)
InChIKeyARDNAFVWQMTHSQ-UHFFFAOYSA-N
XLogP2.86
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 65112242
3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674269
N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
CID 66178490
4,5-dichloro-N-(3-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
CID 111460726
4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107989597
3,4,5-trichloro-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66178693
4,5-dichloro-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114618630
4,5-dichloro-N-(5-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
CID 103862250
2-(3-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178729
2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1H-pyridine-4-carboxamide
CID 66179128
N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide
CID 66178965
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 43171651

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide (CID 66178501) is 4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide is CC(C)CC(C)(O)CNC(=O)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of 4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is ARDNAFVWQMTHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2/c1-8(2)6-13(3,19)7-16-12(18)10-5-9(14)11(15)17(10)4/h5,8,19H,6-7H2,1-4H3,(H,16,18).
What are the key properties of 4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 307.22 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 66178501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).