N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

C17H12F2N2O2 — CID 113207817

IUPACN-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C17H12F2N2O2/c1-21-9-12(11-4-2-3-5-15(11)21)16(22)17(23)20-10-6-7-13(18)14(19)8-10/h2-9H,1H3,(H,20,23)
InChIKeyGAMBMARDRVWKNL-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.28
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 113207817) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID113207817
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC NameN-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C17H12F2N2O2/c1-21-9-12(11-4-2-3-5-15(11)21)16(22)17(23)20-10-6-7-13(18)14(19)8-10/h2-9H,1H3,(H,20,23)
InChIKeyGAMBMARDRVWKNL-UHFFFAOYSA-N
XLogP3.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207729
N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207749
2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 113207737
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 130408553
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788710
N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide
CID 10542762
2-[1-(2-fluorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 46227989

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 113207817) is N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is Cn1cc(C(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccccc21.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is GAMBMARDRVWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-21-9-12(11-4-2-3-5-15(11)21)16(22)17(23)20-10-6-7-13(18)14(19)8-10/h2-9H,1H3,(H,20,23).
What are the key properties of N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 314.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113207817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).