methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate

C24H22N2O3 — CID 92677668

IUPACmethyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-29-24(28)20-6-4-7-21(15-20)25-23(27)19-11-9-17(10-12-19)16-26-14-13-18-5-2-3-8-22(18)26/h2-12,15H,13-14,16H2,1H3,(H,25,27)
InChIKeyATJQIOYAMXCNQC-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.29
Rot. Bonds5

About methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate

methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate (PubChem CID 92677668) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
PubChem CID92677668
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-29-24(28)20-6-4-7-21(15-20)25-23(27)19-11-9-17(10-12-19)16-26-14-13-18-5-2-3-8-22(18)26/h2-12,15H,13-14,16H2,1H3,(H,25,27)
InChIKeyATJQIOYAMXCNQC-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
CID 92682378
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 30388395
N-(2,4-difluorophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 92674557
4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43915643
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate (CID 92677668) is methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1.
What is the InChIKey of methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate?
The InChIKey is ATJQIOYAMXCNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-29-24(28)20-6-4-7-21(15-20)25-23(27)19-11-9-17(10-12-19)16-26-14-13-18-5-2-3-8-22(18)26/h2-12,15H,13-14,16H2,1H3,(H,25,27).
What are the key properties of methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate?
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate has a molecular weight of 386.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 92677668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).