ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate

C19H24F2N2O3 — CID 143666971

IUPACethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
SMILESCC.CCOC(=O)c1c(F)c(C(C)=O)n(C)c1Nc1ccc(C)cc1F
InChIInChI=1S/C17H18F2N2O3.C2H6/c1-5-24-17(23)13-14(19)15(10(3)22)21(4)16(13)20-12-7-6-9(2)8-11(12)18;1-2/h6-8,20H,5H2,1-4H3;1-2H3
InChIKeyPWVPGFXQUCPFSQ-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.76
Rot. Bonds5

About ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate

ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate (PubChem CID 143666971) has the molecular formula C19H24F2N2O3 and a molecular weight of 366.41 g/mol. Its IUPAC name is ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
PubChem CID143666971
Molecular FormulaC19H24F2N2O3
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Nameethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
SMILESCC.CCOC(=O)c1c(F)c(C(C)=O)n(C)c1Nc1ccc(C)cc1F
InChIInChI=1S/C17H18F2N2O3.C2H6/c1-5-24-17(23)13-14(19)15(10(3)22)21(4)16(13)20-12-7-6-9(2)8-11(12)18;1-2/h6-8,20H,5H2,1-4H3;1-2H3
InChIKeyPWVPGFXQUCPFSQ-UHFFFAOYSA-N
XLogP4.76
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-4-chloro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylic acid;ethane
CID 143666924
5-acetyl-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxylic acid
CID 25188086
ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate
CID 126592438
ethyl 7-chloro-3-(2-fluoro-4-methylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686841
5-acetyl-N-(2,3-dihydroxypropoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74403119
ethyl 4-(2-fluoroanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
CID 25109868
5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide
CID 143666937
1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689
3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide
CID 123593181
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 144761820

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate?
The IUPAC name of ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate (CID 143666971) is ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate.
What is the SMILES notation for ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate?
The canonical SMILES for ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate is CC.CCOC(=O)c1c(F)c(C(C)=O)n(C)c1Nc1ccc(C)cc1F.
What is the InChIKey of ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate?
The InChIKey is PWVPGFXQUCPFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3.C2H6/c1-5-24-17(23)13-14(19)15(10(3)22)21(4)16(13)20-12-7-6-9(2)8-11(12)18;1-2/h6-8,20H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate?
ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate has a molecular weight of 366.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate is sourced from PubChem (CID 143666971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).