N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide

C25H20F4N2O3 — CID 146592733

IUPACN-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide
SMILESCC1(CO)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3ccc(F)cc3F)ccc21
InChIInChI=1S/C25H20F4N2O3/c1-25(13-32)20-5-3-15(23(33)30-11-16-2-4-17(26)10-21(16)29)8-22(20)31(24(25)34)12-14-6-18(27)9-19(28)7-14/h2-10,32H,11-13H2,1H3,(H,30,33)
InChIKeyVPHDDFSAYWOSMO-UHFFFAOYSA-N
MW472.44 g/mol
LogP3.97
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide (PubChem CID 146592733) has the molecular formula C25H20F4N2O3 and a molecular weight of 472.44 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide
PubChem CID146592733
Molecular FormulaC25H20F4N2O3
Molecular Weight472.44 g/mol
Exact Mass472.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide
SMILESCC1(CO)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3ccc(F)cc3F)ccc21
InChIInChI=1S/C25H20F4N2O3/c1-25(13-32)20-5-3-15(23(33)30-11-16-2-4-17(26)10-21(16)29)8-22(20)31(24(25)34)12-14-6-18(27)9-19(28)7-14/h2-10,32H,11-13H2,1H3,(H,30,33)
InChIKeyVPHDDFSAYWOSMO-UHFFFAOYSA-N
XLogP3.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-3-fluoro-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592779
1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide
CID 142502484
N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592747
1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 142502558
1-[(4-azidophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592702
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502443
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502572
1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 170071729
1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 146592755

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide (CID 146592733) is N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide is CC1(CO)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3ccc(F)cc3F)ccc21.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide?
The InChIKey is VPHDDFSAYWOSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O3/c1-25(13-32)20-5-3-15(23(33)30-11-16-2-4-17(26)10-21(16)29)8-22(20)31(24(25)34)12-14-6-18(27)9-19(28)7-14/h2-10,32H,11-13H2,1H3,(H,30,33).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide has a molecular weight of 472.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide is sourced from PubChem (CID 146592733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).