4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide

C20H15F2N3O3 — CID 130408553

IUPAC4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C(=O)C(=O)Nc2ccccc2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H15F2N3O3/c1-25-11-12(18(26)20(28)23-13-5-3-2-4-6-13)9-17(25)19(27)24-14-7-8-15(21)16(22)10-14/h2-11H,1H3,(H,23,28)(H,24,27)
InChIKeyJFNLWDVGCDLLCA-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.38
Rot. Bonds5

About 4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide

4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 130408553) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID130408553
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC Name4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C(=O)C(=O)Nc2ccccc2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H15F2N3O3/c1-25-11-12(18(26)20(28)23-13-5-3-2-4-6-13)9-17(25)19(27)24-14-7-8-15(21)16(22)10-14/h2-11H,1H3,(H,23,28)(H,24,27)
InChIKeyJFNLWDVGCDLLCA-UHFFFAOYSA-N
XLogP3.38
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-4-[2-(isocyanomethylamino)-2-oxoacetyl]-1-methylpyrrole-2-carboxamide
CID 153419420
2-[5-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrrol-3-yl]-2-oxoacetic acid
CID 163857294
N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207817
N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 47015100
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide
CID 136513814
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28740773
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid
CID 135351177
5-[2-(3,4-difluoroanilino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,2,4-trimethylpyrrole-3-carboxamide
CID 146450352
N-(3,4-difluorophenyl)-4-[(3-hydroxycyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 121294822
N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691221

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide (CID 130408553) is 4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(C(=O)C(=O)Nc2ccccc2)cc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is JFNLWDVGCDLLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c1-25-11-12(18(26)20(28)23-13-5-3-2-4-6-13)9-17(25)19(27)24-14-7-8-15(21)16(22)10-14/h2-11H,1H3,(H,23,28)(H,24,27).
What are the key properties of 4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide?
4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 130408553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).