1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide

C13H18F2N2O2 — CID 114757252

IUPAC1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cccn1CC(F)F
InChIInChI=1S/C13H18F2N2O2/c14-11(15)8-17-6-1-2-10(17)12(19)16-9-13(3-4-13)5-7-18/h1-2,6,11,18H,3-5,7-9H2,(H,16,19)
InChIKeyLFCLMUGOMAZWMS-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.65
Rot. Bonds7

About 1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide (PubChem CID 114757252) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
PubChem CID114757252
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cccn1CC(F)F
InChIInChI=1S/C13H18F2N2O2/c14-11(15)8-17-6-1-2-10(17)12(19)16-9-13(3-4-13)5-7-18/h1-2,6,11,18H,3-5,7-9H2,(H,16,19)
InChIKeyLFCLMUGOMAZWMS-UHFFFAOYSA-N
XLogP1.65
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 103352552
1-(2,2-difluoroethyl)-N-(3-ethyl-2-hydroxypentyl)pyrrole-2-carboxamide
CID 106287896
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide
CID 103968979
1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 114609754
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]methyl]-3-methylbutanoic acid
CID 114608914
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-hydroxypropan-2-yl)pyrrole-2-carboxamide
CID 114609446
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide
CID 114609452
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 112748853

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide (CID 114757252) is 1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide is O=C(NCC1(CCO)CC1)c1cccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
The InChIKey is LFCLMUGOMAZWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c14-11(15)8-17-6-1-2-10(17)12(19)16-9-13(3-4-13)5-7-18/h1-2,6,11,18H,3-5,7-9H2,(H,16,19).
What are the key properties of 1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 1.65, 7 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-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114757252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).