2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one

C45H47F2N5O6 — CID 159314867

IUPAC2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one
SMILESCNC(=O)c1cccc(C)c1.Cc1ccc(OC(F)F)c(C(N)=O)c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CC(=O)N2.Cc1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C9H9F2NO2.3C9H9NO.C9H11NO/c1-5-2-3-7(14-9(10)11)6(4-5)8(12)13;1-6-2-3-8-7(4-6)5-9(11)10-8;1-6-2-3-7-5-10-9(11)8(7)4-6;1-6-2-3-7-5-9(11)10-8(7)4-6;1-7-4-3-5-8(6-7)9(11)10-2/h2-4,9H,1H3,(H2,12,13);3*2-4H,5H2,1H3,(H,10,11);3-6H,1-2H3,(H,10,11)
InChIKeyLCZWHEXPKBKGRT-UHFFFAOYSA-N
MW791.90 g/mol
LogP7.27
Rot. Bonds4

About 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one

2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one (PubChem CID 159314867) has the molecular formula C45H47F2N5O6 and a molecular weight of 791.90 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one
PubChem CID159314867
Molecular FormulaC45H47F2N5O6
Molecular Weight791.90 g/mol
Exact Mass791.35
IUPAC Name2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one
SMILESCNC(=O)c1cccc(C)c1.Cc1ccc(OC(F)F)c(C(N)=O)c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CC(=O)N2.Cc1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C9H9F2NO2.3C9H9NO.C9H11NO/c1-5-2-3-7(14-9(10)11)6(4-5)8(12)13;1-6-2-3-8-7(4-6)5-9(11)10-8;1-6-2-3-7-5-10-9(11)8(7)4-6;1-6-2-3-7-5-9(11)10-8(7)4-6;1-7-4-3-5-8(6-7)9(11)10-2/h2-4,9H,1H3,(H2,12,13);3*2-4H,5H2,1H3,(H,10,11);3-6H,1-2H3,(H,10,11)
InChIKeyLCZWHEXPKBKGRT-UHFFFAOYSA-N
XLogP7.27
TPSA168.72 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.90
LogP ≤ 57.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

N-(4-(4,9-bis(difluoromethoxy)-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)-3-methylphenethyl)-2-(2-methoxyphenyl)acetamide
CID 53324453
N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 2117890
(2R,17S)-7-(difluoromethoxy)-2-[(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)amino]-4,17,19-trimethyl-4,11-diazatricyclo[16.2.2.16,10]tricosa-1(20),6,8,10(23),18,21-hexaene-3,12-dione
CID 59315366
N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 68808186
2-(4-oxobutyl)-3-[(2-phenoxybenzoyl)amino]-1-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 88342496
N-[4-[[[2-[3-(4-methoxyphenyl)propanoylamino]-2-phenylacetyl]amino]methyl]-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 91053086
N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide
CID 91312877
N-[4-methoxy-3-[(4-methylphenyl)carbamoyl]phenyl]-2-methyl-5-[[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]methyl]benzamide
CID 123982526
N-[2-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-dihydroisoindol-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139944314
N-[(1S)-2-[(4-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide
CID 140052500
deamino-Tyr(Me)-Phg-Unk
CID 140055622
N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 141304338

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one (CID 159314867) is 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one is CNC(=O)c1cccc(C)c1.Cc1ccc(OC(F)F)c(C(N)=O)c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CC(=O)N2.Cc1ccc2c(c1)NC(=O)C2.
What is the InChIKey of 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is LCZWHEXPKBKGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2.3C9H9NO.C9H11NO/c1-5-2-3-7(14-9(10)11)6(4-5)8(12)13;1-6-2-3-8-7(4-6)5-9(11)10-8;1-6-2-3-7-5-10-9(11)8(7)4-6;1-6-2-3-7-5-9(11)10-8(7)4-6;1-7-4-3-5-8(6-7)9(11)10-2/h2-4,9H,1H3,(H2,12,13);3*2-4H,5H2,1H3,(H,10,11);3-6H,1-2H3,(H,10,11).
What are the key properties of 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one?
2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one has a molecular weight of 791.90 g/mol, XLogP of 7.27, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methylbenzamide;N,3-dimethylbenzamide;5-methyl-1,3-dihydroindol-2-one;6-methyl-1,3-dihydroindol-2-one;6-methyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 159314867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).