1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide

C11H16F2N2O2 — CID 114609754

IUPAC1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
SMILESCC(CCO)NC(=O)c1cccn1CC(F)F
InChIInChI=1S/C11H16F2N2O2/c1-8(4-6-16)14-11(17)9-3-2-5-15(9)7-10(12)13/h2-3,5,8,10,16H,4,6-7H2,1H3,(H,14,17)
InChIKeyRBGGXPWFIDDDEQ-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.25
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide (PubChem CID 114609754) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
PubChem CID114609754
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
SMILESCC(CCO)NC(=O)c1cccn1CC(F)F
InChIInChI=1S/C11H16F2N2O2/c1-8(4-6-16)14-11(17)9-3-2-5-15(9)7-10(12)13/h2-3,5,8,10,16H,4,6-7H2,1H3,(H,14,17)
InChIKeyRBGGXPWFIDDDEQ-UHFFFAOYSA-N
XLogP1.25
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide
CID 114609446
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid
CID 104939921
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104939949
(2S)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 104939909
(2S)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104939894
1-(2,2-difluoroethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrole-2-carboxamide
CID 107846949
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-2-methylpropanoic acid
CID 114608790
1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 114610004
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
CID 114609622
2-[[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 114608914
1-(2,2-difluoroethyl)-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 114609610
1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114757252

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide (CID 114609754) is 1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide is CC(CCO)NC(=O)c1cccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
The InChIKey is RBGGXPWFIDDDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-8(4-6-16)14-11(17)9-3-2-5-15(9)7-10(12)13/h2-3,5,8,10,16H,4,6-7H2,1H3,(H,14,17).
What are the key properties of 1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide has a molecular weight of 246.26 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).