4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide

C10H12ClF3N2O2 — CID 154834480

IUPAC4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCC(C)(O)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2O2/c1-9(18,10(12,13)14)5-15-8(17)7-3-6(11)4-16(7)2/h3-4,18H,5H2,1-2H3,(H,15,17)
InChIKeyFBQDBQBMQPOISO-UHFFFAOYSA-N
MW284.67 g/mol
LogP1.72
Rot. Bonds3

About 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide

4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide (PubChem CID 154834480) has the molecular formula C10H12ClF3N2O2 and a molecular weight of 284.67 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
PubChem CID154834480
Molecular FormulaC10H12ClF3N2O2
Molecular Weight284.67 g/mol
Exact Mass284.05
IUPAC Name4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCC(C)(O)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2O2/c1-9(18,10(12,13)14)5-15-8(17)7-3-6(11)4-16(7)2/h3-4,18H,5H2,1-2H3,(H,15,17)
InChIKeyFBQDBQBMQPOISO-UHFFFAOYSA-N
XLogP1.72
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 81484909
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 43500997
4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide
CID 166193409
4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 106843318
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
CID 113294464
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
4-chloro-1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CID 61066534
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
2-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]butanoic acid
CID 65219976
4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 62665276
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide
CID 114153098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide (CID 154834480) is 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NCC(C)(O)C(F)(F)F.
What is the InChIKey of 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide?
The InChIKey is FBQDBQBMQPOISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2/c1-9(18,10(12,13)14)5-15-8(17)7-3-6(11)4-16(7)2/h3-4,18H,5H2,1-2H3,(H,15,17).
What are the key properties of 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide?
4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide has a molecular weight of 284.67 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 154834480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).