4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide

C17H19FN2O3 — CID 51258267

IUPAC4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(C(C)=O)cn2C)cc1F
InChIInChI=1S/C17H19FN2O3/c1-10(12-5-6-16(23-4)14(18)7-12)19-17(22)15-8-13(11(2)21)9-20(15)3/h5-10H,1-4H3,(H,19,22)
InChIKeyPVGJAGYKZDNAFF-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.87
Rot. Bonds5

About 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide

4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 51258267) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID51258267
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(C(C)=O)cn2C)cc1F
InChIInChI=1S/C17H19FN2O3/c1-10(12-5-6-16(23-4)14(18)7-12)19-17(22)15-8-13(11(2)21)9-20(15)3/h5-10H,1-4H3,(H,19,22)
InChIKeyPVGJAGYKZDNAFF-UHFFFAOYSA-N
XLogP2.87
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 18118337
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpyrrole-3-carboxamide
CID 124628027
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 154837440
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
2,4-dichloro-5-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 18275060
2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 16574257
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615
2-(4-acetylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200831
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide (CID 51258267) is 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide is COc1ccc(C(C)NC(=O)c2cc(C(C)=O)cn2C)cc1F.
What is the InChIKey of 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is PVGJAGYKZDNAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-10(12-5-6-16(23-4)14(18)7-12)19-17(22)15-8-13(11(2)21)9-20(15)3/h5-10H,1-4H3,(H,19,22).
What are the key properties of 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide?
4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 51258267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).