1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide

C15H16F2N2O2 — CID 114609452

IUPAC1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cccn1CC(F)F
InChIInChI=1S/C15H16F2N2O2/c16-14(17)10-19-8-4-7-12(19)15(21)18-9-13(20)11-5-2-1-3-6-11/h1-8,13-14,20H,9-10H2,(H,18,21)
InChIKeyMHBQVOVPOVHRCB-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.22
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide (PubChem CID 114609452) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide
PubChem CID114609452
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cccn1CC(F)F
InChIInChI=1S/C15H16F2N2O2/c16-14(17)10-19-8-4-7-12(19)15(21)18-9-13(20)11-5-2-1-3-6-11/h1-8,13-14,20H,9-10H2,(H,18,21)
InChIKeyMHBQVOVPOVHRCB-UHFFFAOYSA-N
XLogP2.22
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-2-methylpropanoic acid
CID 114608790
N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
CID 43391337
1-(2,2-difluoroethyl)-N-(3-ethyl-2-hydroxypentyl)pyrrole-2-carboxamide
CID 106287896
2-[[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 114608914
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 86876631
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
CID 114609622
methyl 2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]acetate
CID 114610698
2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]benzoic acid
CID 114608561
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
1-(2,2-difluoroethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrole-2-carboxamide
CID 107846949

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide (CID 114609452) is 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide is O=C(NCC(O)c1ccccc1)c1cccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is MHBQVOVPOVHRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-14(17)10-19-8-4-7-12(19)15(21)18-9-13(20)11-5-2-1-3-6-11/h1-8,13-14,20H,9-10H2,(H,18,21).
What are the key properties of 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 2.22, 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-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).