methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate

C25H21FN2O4 — CID 78873448

IUPACmethyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C25H21FN2O4/c1-15-7-8-17(14-21(15)27-23(29)19-5-3-4-6-20(19)26)24(30)28-12-11-16-13-18(25(31)32-2)9-10-22(16)28/h3-10,13-14H,11-12H2,1-2H3,(H,27,29)
InChIKeySVQCKHVBRQALPY-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.38
Rot. Bonds4

About methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 78873448) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate
PubChem CID78873448
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC Namemethyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C25H21FN2O4/c1-15-7-8-17(14-21(15)27-23(29)19-5-3-4-6-20(19)26)24(30)28-12-11-16-13-18(25(31)32-2)9-10-22(16)28/h3-10,13-14H,11-12H2,1-2H3,(H,27,29)
InChIKeySVQCKHVBRQALPY-UHFFFAOYSA-N
XLogP4.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate
CID 51338171
methyl 2-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 78872591
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049544
methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate
CID 7920475
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
2-fluoro-N-[2-methyl-5-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 56543165
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625
3-fluoro-1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119259430
methyl 3-[(4-cyano-2-fluorobenzoyl)amino]-4-methylbenzoate
CID 2992050
methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate
CID 9173341
(2R,3R)-1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115383

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate (CID 78873448) is methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1.
What is the InChIKey of methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is SVQCKHVBRQALPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-15-7-8-17(14-21(15)27-23(29)19-5-3-4-6-20(19)26)24(30)28-12-11-16-13-18(25(31)32-2)9-10-22(16)28/h3-10,13-14H,11-12H2,1-2H3,(H,27,29).
What are the key properties of methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 432.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 78873448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).