3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen

C25H36F4N2O3 — CID 143317103

IUPAC3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen
SMILESCN1CC2CCCCC2C1.COc1ccccc1OC.FCF.NC(=O)c1ccc(F)c(F)c1.[H][H]
InChIInChI=1S/C9H17N.C8H10O2.C7H5F2NO.CH2F2.H2/c1-10-6-8-4-2-3-5-9(8)7-10;1-9-7-5-3-4-6-8(7)10-2;8-5-2-1-4(7(10)11)3-6(5)9;2-1-3;/h8-9H,2-7H2,1H3;3-6H,1-2H3;1-3H,(H2,10,11);1H2;1H
InChIKeyVPZVWMLRXYWJNW-UHFFFAOYSA-N
MW488.57 g/mol
LogP5.63
Rot. Bonds3

About 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen

3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen (PubChem CID 143317103) has the molecular formula C25H36F4N2O3 and a molecular weight of 488.57 g/mol. Its IUPAC name is 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen.

Molecular Properties

Compound Name3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen
PubChem CID143317103
Molecular FormulaC25H36F4N2O3
Molecular Weight488.57 g/mol
Exact Mass488.27
IUPAC Name3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen
SMILESCN1CC2CCCCC2C1.COc1ccccc1OC.FCF.NC(=O)c1ccc(F)c(F)c1.[H][H]
InChIInChI=1S/C9H17N.C8H10O2.C7H5F2NO.CH2F2.H2/c1-10-6-8-4-2-3-5-9(8)7-10;1-9-7-5-3-4-6-8(7)10-2;8-5-2-1-4(7(10)11)3-6(5)9;2-1-3;/h8-9H,2-7H2,1H3;3-6H,1-2H3;1-3H,(H2,10,11);1H2;1H
InChIKeyVPZVWMLRXYWJNW-UHFFFAOYSA-N
XLogP5.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
(3aS,7aR)-7a-(3,4-dimethoxyphenyl)-2-methyl-3,3a,4,5,6,7-hexahydro-1H-isoindole;4-fluoro-3-(trifluoromethyl)benzamide
CID 143317112
4-methoxy-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659783
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22318837
4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 62975237
1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656956
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one
CID 117415452
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823
3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide
CID 67959112
2-[(3S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(4-fluorophenoxy)piperidin-3-yl]acetamide
CID 110079595
[2-(3,4-difluorophenyl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8002802

Frequently Asked Questions

What is the IUPAC name of 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen?
The IUPAC name of 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen (CID 143317103) is 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen.
What is the SMILES notation for 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen?
The canonical SMILES for 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen is CN1CC2CCCCC2C1.COc1ccccc1OC.FCF.NC(=O)c1ccc(F)c(F)c1.[H][H].
What is the InChIKey of 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen?
The InChIKey is VPZVWMLRXYWJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H10O2.C7H5F2NO.CH2F2.H2/c1-10-6-8-4-2-3-5-9(8)7-10;1-9-7-5-3-4-6-8(7)10-2;8-5-2-1-4(7(10)11)3-6(5)9;2-1-3;/h8-9H,2-7H2,1H3;3-6H,1-2H3;1-3H,(H2,10,11);1H2;1H.
What are the key properties of 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen?
3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen has a molecular weight of 488.57 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluorobenzamide;difluoromethane;1,2-dimethoxybenzene;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;molecular hydrogen is sourced from PubChem (CID 143317103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).