4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide

C14H15F2N3O — CID 43643237

IUPAC4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O/c1-2-6-19-8-9(17)7-12(19)14(20)18-13-10(15)4-3-5-11(13)16/h3-5,7-8H,2,6,17H2,1H3,(H,18,20)
InChIKeyPPABHBSXPZEALP-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.01
Rot. Bonds4

About 4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide

4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43643237) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
PubChem CID43643237
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O/c1-2-6-19-8-9(17)7-12(19)14(20)18-13-10(15)4-3-5-11(13)16/h3-5,7-8H,2,6,17H2,1H3,(H,18,20)
InChIKeyPPABHBSXPZEALP-UHFFFAOYSA-N
XLogP3.01
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide
CID 61116942
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 65489271
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide
CID 43642348
4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 79234677
N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 65498938
4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106332688
4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
CID 43642339
4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425327

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide (CID 43643237) is 4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is PPABHBSXPZEALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-2-6-19-8-9(17)7-12(19)14(20)18-13-10(15)4-3-5-11(13)16/h3-5,7-8H,2,6,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43643237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).