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

C16H17FN2O3 — CID 18118337

IUPAC4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(C(C)=O)c[nH]2)cc1F
InChIInChI=1S/C16H17FN2O3/c1-9(11-4-5-15(22-3)13(17)6-11)19-16(21)14-7-12(8-18-14)10(2)20/h4-9,18H,1-3H3,(H,19,21)
InChIKeyJUZQQRJEBPLGBN-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.86
Rot. Bonds5

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

4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 18118337) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID18118337
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(C(C)=O)c[nH]2)cc1F
InChIInChI=1S/C16H17FN2O3/c1-9(11-4-5-15(22-3)13(17)6-11)19-16(21)14-7-12(8-18-14)10(2)20/h4-9,18H,1-3H3,(H,19,21)
InChIKeyJUZQQRJEBPLGBN-UHFFFAOYSA-N
XLogP2.86
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 8533676
4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 51258267
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
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-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968315
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 124620638
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 47119098
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 18118337) is 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is COc1ccc(C(C)NC(=O)c2cc(C(C)=O)c[nH]2)cc1F.
What is the InChIKey of 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JUZQQRJEBPLGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-9(11-4-5-15(22-3)13(17)6-11)19-16(21)14-7-12(8-18-14)10(2)20/h4-9,18H,1-3H3,(H,19,21).
What are the key properties of 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18118337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).