4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide

C10H14Cl2N2O2 — CID 115869820

IUPAC4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(CCO)NC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C10H14Cl2N2O2/c1-10(2,3-4-15)14-9(16)7-5-6(11)8(12)13-7/h5,13,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyHVHRCAYONQCWCF-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.21
Rot. Bonds4

About 4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 115869820) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID115869820
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(CCO)NC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C10H14Cl2N2O2/c1-10(2,3-4-15)14-9(16)7-5-6(11)8(12)13-7/h5,13,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyHVHRCAYONQCWCF-UHFFFAOYSA-N
XLogP2.21
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-N-(1-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 64557361
2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870194
2,6-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115969021
2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343249
4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide
CID 111486398
N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 81484379
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
7-chloro-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 115870009
2-bromo-5-chloro-3-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 119052227
4-chloro-N-(5-hydroxy-2-methylpentan-2-yl)benzamide
CID 136573165
2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113368382
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide (CID 115869820) is 4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide is CC(C)(CCO)NC(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is HVHRCAYONQCWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-10(2,3-4-15)14-9(16)7-5-6(11)8(12)13-7/h5,13,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 265.14 g/mol, XLogP of 2.21, 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-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115869820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).