1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide

C14H19F2N3O — CID 107486961

IUPAC1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide
SMILESO=C(NCCC1=CCNCC1)c1cccn1CC(F)F
InChIInChI=1S/C14H19F2N3O/c15-13(16)10-19-9-1-2-12(19)14(20)18-8-5-11-3-6-17-7-4-11/h1-3,9,13,17H,4-8,10H2,(H,18,20)
InChIKeyRHMROHQSHWUWRO-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.79
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 107486961) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide
PubChem CID107486961
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide
SMILESO=C(NCCC1=CCNCC1)c1cccn1CC(F)F
InChIInChI=1S/C14H19F2N3O/c15-13(16)10-19-9-1-2-12(19)14(20)18-8-5-11-3-6-17-7-4-11/h1-3,9,13,17H,4-8,10H2,(H,18,20)
InChIKeyRHMROHQSHWUWRO-UHFFFAOYSA-N
XLogP1.79
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486730
2-bromo-3-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486823
2-(4-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486971
1-(2,2-difluoroethyl)-N-[(3S)-piperidin-3-yl]pyrrole-2-carboxamide
CID 104982418
2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486644
methyl 2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]acetate
CID 114610698
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
CID 114609622
5-chloro-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486985
1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 114693607
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-2-methylpropanoic acid
CID 114608790
N-[(1-aminocyclobutyl)methyl]-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 103352552

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide (CID 107486961) is 1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide is O=C(NCCC1=CCNCC1)c1cccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is RHMROHQSHWUWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-13(16)10-19-9-1-2-12(19)14(20)18-8-5-11-3-6-17-7-4-11/h1-3,9,13,17H,4-8,10H2,(H,18,20).
What are the key properties of 1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 1.79, 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-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 107486961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).