4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide

C17H20FN3O2 — CID 47065717

IUPAC4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCCN(C)c2ccccc2F)c1
InChIInChI=1S/C17H20FN3O2/c1-12(22)13-10-15(20-11-13)17(23)19-8-5-9-21(2)16-7-4-3-6-14(16)18/h3-4,6-7,10-11,20H,5,8-9H2,1-2H3,(H,19,23)
InChIKeyOYUVTLJAOIVFJI-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.61
Rot. Bonds7

About 4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 47065717) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide
PubChem CID47065717
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCCN(C)c2ccccc2F)c1
InChIInChI=1S/C17H20FN3O2/c1-12(22)13-10-15(20-11-13)17(23)19-8-5-9-21(2)16-7-4-3-6-14(16)18/h3-4,6-7,10-11,20H,5,8-9H2,1-2H3,(H,19,23)
InChIKeyOYUVTLJAOIVFJI-UHFFFAOYSA-N
XLogP2.61
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
4-acetyl-N-(6-hydroxyhexyl)-1H-pyrrole-2-carboxamide
CID 103918698
methyl 6-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]hexanoate
CID 31841297
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
CID 120503280
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide
CID 55907767
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
CID 94866111
4-fluoro-N-[3-(2-fluoro-N-methylanilino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55908423
N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55908681
4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 32687581

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide (CID 47065717) is 4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCCCN(C)c2ccccc2F)c1.
What is the InChIKey of 4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OYUVTLJAOIVFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12(22)13-10-15(20-11-13)17(23)19-8-5-9-21(2)16-7-4-3-6-14(16)18/h3-4,6-7,10-11,20H,5,8-9H2,1-2H3,(H,19,23).
What are the key properties of 4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(2-fluoro-N-methylanilino)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47065717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).