5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C20H23FN2O3 — CID 95125429

IUPAC5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NC[C@@]2(c3ccc(F)cc3)CCOC2)c1C
InChIInChI=1S/C20H23FN2O3/c1-12-17(13(2)23-18(12)14(3)24)19(25)22-10-20(8-9-26-11-20)15-4-6-16(21)7-5-15/h4-7,23H,8-11H2,1-3H3,(H,22,25)/t20-/m0/s1
InChIKeyYYJLGKWOYKGDNW-FQEVSTJZSA-N
MW358.41 g/mol
LogP3.06
Rot. Bonds5

About 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 95125429) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID95125429
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NC[C@@]2(c3ccc(F)cc3)CCOC2)c1C
InChIInChI=1S/C20H23FN2O3/c1-12-17(13(2)23-18(12)14(3)24)19(25)22-10-20(8-9-26-11-20)15-4-6-16(21)7-5-15/h4-7,23H,8-11H2,1-3H3,(H,22,25)/t20-/m0/s1
InChIKeyYYJLGKWOYKGDNW-FQEVSTJZSA-N
XLogP3.06
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

5-acetyl-2,4-dimethyl-N-[(4-phenyloxan-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 118767842
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95128451
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide
CID 86861805
N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 95142210
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 50974704
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137
4-acetyl-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 60578105
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 95125429) is 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)NC[C@@]2(c3ccc(F)cc3)CCOC2)c1C.
What is the InChIKey of 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is YYJLGKWOYKGDNW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-12-17(13(2)23-18(12)14(3)24)19(25)22-10-20(8-9-26-11-20)15-4-6-16(21)7-5-15/h4-7,23H,8-11H2,1-3H3,(H,22,25)/t20-/m0/s1.
What are the key properties of 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 95125429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).