5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide

C18H22FN3O5 — CID 143666937

IUPAC5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NOC(CO)CO)c(Nc2ccc(C)cc2F)n1C
InChIInChI=1S/C18H22FN3O5/c1-10-4-5-15(14(19)6-10)20-17-13(7-16(11(2)25)22(17)3)18(26)21-27-12(8-23)9-24/h4-7,12,20,23-24H,8-9H2,1-3H3,(H,21,26)
InChIKeySNTDJIBAJBCPGC-UHFFFAOYSA-N
MW379.39 g/mol
LogP1.43
Rot. Bonds8

About 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide

5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide (PubChem CID 143666937) has the molecular formula C18H22FN3O5 and a molecular weight of 379.39 g/mol. Its IUPAC name is 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide
PubChem CID143666937
Molecular FormulaC18H22FN3O5
Molecular Weight379.39 g/mol
Exact Mass379.15
IUPAC Name5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NOC(CO)CO)c(Nc2ccc(C)cc2F)n1C
InChIInChI=1S/C18H22FN3O5/c1-10-4-5-15(14(19)6-10)20-17-13(7-16(11(2)25)22(17)3)18(26)21-27-12(8-23)9-24/h4-7,12,20,23-24H,8-9H2,1-3H3,(H,21,26)
InChIKeySNTDJIBAJBCPGC-UHFFFAOYSA-N
XLogP1.43
TPSA112.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-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

5-acetyl-N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74402613
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
ethane;1-[5-(2-fluoro-4-methylanilino)-4-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-2-yl]ethanone
CID 143666994
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide
CID 25189177
ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
CID 143666971
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
5-acetyl-4-chloro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylic acid;ethane
CID 143666924
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689
5-acetyl-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrrole-3-carboxamide;ethane
CID 143666998
2-(2-fluoro-4-methylanilino)-N-methoxy-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 142476362

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide (CID 143666937) is 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide is CC(=O)c1cc(C(=O)NOC(CO)CO)c(Nc2ccc(C)cc2F)n1C.
What is the InChIKey of 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide?
The InChIKey is SNTDJIBAJBCPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O5/c1-10-4-5-15(14(19)6-10)20-17-13(7-16(11(2)25)22(17)3)18(26)21-27-12(8-23)9-24/h4-7,12,20,23-24H,8-9H2,1-3H3,(H,21,26).
What are the key properties of 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide?
5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 1.43, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 143666937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).