3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide

C25H23FN2O3 — CID 95081738

IUPAC3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N2c3cc(CNC(=O)c4cccc(F)c4)ccc3C[C@H]2C)cc1
InChIInChI=1S/C25H23FN2O3/c1-16-12-19-7-6-17(15-27-24(29)20-4-3-5-21(26)14-20)13-23(19)28(16)25(30)18-8-10-22(31-2)11-9-18/h3-11,13-14,16H,12,15H2,1-2H3,(H,27,29)/t16-/m1/s1
InChIKeyPMOILVPHSHEIDD-MRXNPFEDSA-N
MW418.47 g/mol
LogP4.36
Rot. Bonds5

About 3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide

3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide (PubChem CID 95081738) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
PubChem CID95081738
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N2c3cc(CNC(=O)c4cccc(F)c4)ccc3C[C@H]2C)cc1
InChIInChI=1S/C25H23FN2O3/c1-16-12-19-7-6-17(15-27-24(29)20-4-3-5-21(26)14-20)13-23(19)28(16)25(30)18-8-10-22(31-2)11-9-18/h3-11,13-14,16H,12,15H2,1-2H3,(H,27,29)/t16-/m1/s1
InChIKeyPMOILVPHSHEIDD-MRXNPFEDSA-N
XLogP4.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081709
2,6-difluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099409
3-fluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 95082904
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 95081667
4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081648
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099425
2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099410
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95081569
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea
CID 53099578
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099241
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide
CID 95081549

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide (CID 95081738) is 3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide is COc1ccc(C(=O)N2c3cc(CNC(=O)c4cccc(F)c4)ccc3C[C@H]2C)cc1.
What is the InChIKey of 3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide?
The InChIKey is PMOILVPHSHEIDD-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-16-12-19-7-6-17(15-27-24(29)20-4-3-5-21(26)14-20)13-23(19)28(16)25(30)18-8-10-22(31-2)11-9-18/h3-11,13-14,16H,12,15H2,1-2H3,(H,27,29)/t16-/m1/s1.
What are the key properties of 3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide?
3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide has a molecular weight of 418.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide is sourced from PubChem (CID 95081738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).