4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide

C11H16Cl2N2O2 — CID 111486398

IUPAC4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H16Cl2N2O2/c1-6(2)11(3,17)5-14-10(16)8-4-7(12)9(13)15-8/h4,6,15,17H,5H2,1-3H3,(H,14,16)
InChIKeyCHBHASVOBOQLGX-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.46
Rot. Bonds4

About 4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide (PubChem CID 111486398) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide
PubChem CID111486398
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H16Cl2N2O2/c1-6(2)11(3,17)5-14-10(16)8-4-7(12)9(13)15-8/h4,6,15,17H,5H2,1-3H3,(H,14,16)
InChIKeyCHBHASVOBOQLGX-UHFFFAOYSA-N
XLogP2.46
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 81484379
N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide
CID 111484272
4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063917
N-(2-amino-3-hydroxybutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 64541676
4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 115869820
4,5-dichloro-N-(1-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 64557361
5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
CID 111483845
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
(2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 28740856
4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 31303037
4,5-dichloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 65118932

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide (CID 111486398) is 4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide is CC(C)C(C)(O)CNC(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide?
The InChIKey is CHBHASVOBOQLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2/c1-6(2)11(3,17)5-14-10(16)8-4-7(12)9(13)15-8/h4,6,15,17H,5H2,1-3H3,(H,14,16).
What are the key properties of 4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide has a molecular weight of 279.17 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 111486398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).