1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide

C12H14F2N4O — CID 114610004

IUPAC1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cccn1CC(F)F)c1ncc[nH]1
InChIInChI=1S/C12H14F2N4O/c1-8(11-15-4-5-16-11)17-12(19)9-3-2-6-18(9)7-10(13)14/h2-6,8,10H,7H2,1H3,(H,15,16)(H,17,19)
InChIKeyDUXBXYCWJUNNAR-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.97
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 114610004) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide
PubChem CID114610004
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cccn1CC(F)F)c1ncc[nH]1
InChIInChI=1S/C12H14F2N4O/c1-8(11-15-4-5-16-11)17-12(19)9-3-2-6-18(9)7-10(13)14/h2-6,8,10H,7H2,1H3,(H,15,16)(H,17,19)
InChIKeyDUXBXYCWJUNNAR-UHFFFAOYSA-N
XLogP1.97
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.97
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
1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 114609754
(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
3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide
CID 114020145
(2S)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 104939894
2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105387534
2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 107261346
3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107519383
N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 103094486
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
CID 114609622

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide (CID 114610004) is 1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide is CC(NC(=O)c1cccn1CC(F)F)c1ncc[nH]1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is DUXBXYCWJUNNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-8(11-15-4-5-16-11)17-12(19)9-3-2-6-18(9)7-10(13)14/h2-6,8,10H,7H2,1H3,(H,15,16)(H,17,19).
What are the key properties of 1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 1.97, 5 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-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114610004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).