2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide

C25H21F2N3O2 — CID 55483076

IUPAC2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide
SMILESCNC(=O)C(NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C25H21F2N3O2/c1-28-25(32)24(18-11-12-19(26)20(27)13-18)29-23(31)15-30-21-10-6-5-9-17(21)14-22(30)16-7-3-2-4-8-16/h2-14,24H,15H2,1H3,(H,28,32)(H,29,31)
InChIKeyKDFHFDYIPMZCSB-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.19
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide

2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide (PubChem CID 55483076) has the molecular formula C25H21F2N3O2 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide
PubChem CID55483076
Molecular FormulaC25H21F2N3O2
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide
SMILESCNC(=O)C(NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C25H21F2N3O2/c1-28-25(32)24(18-11-12-19(26)20(27)13-18)29-23(31)15-30-21-10-6-5-9-17(21)14-22(30)16-7-3-2-4-8-16/h2-14,24H,15H2,1H3,(H,28,32)(H,29,31)
InChIKeyKDFHFDYIPMZCSB-UHFFFAOYSA-N
XLogP4.19
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 55576340
2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 134051745
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetamide
CID 78834515
2-(2-phenylindol-1-yl)-N-[1-(4-phenylphenyl)propan-2-yl]acetamide
CID 155968281
2-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55502195
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 134051678
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-phenylindol-1-yl)acetamide
CID 47029046
3-chloro-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 134051673
2-(2-phenylindol-1-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 55396627
2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide
CID 55483220
(E)-3-(2,6-dichlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 78841512

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide (CID 55483076) is 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide is CNC(=O)C(NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide?
The InChIKey is KDFHFDYIPMZCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O2/c1-28-25(32)24(18-11-12-19(26)20(27)13-18)29-23(31)15-30-21-10-6-5-9-17(21)14-22(30)16-7-3-2-4-8-16/h2-14,24H,15H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide?
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide has a molecular weight of 433.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 55483076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).