N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone

C65H67N5O7 — CID 162040931

IUPACN-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone
SMILESCCc1ccc(C(=O)CO)cc1.CCc1ccc(C(=O)O)cc1.Nc1ccccc1NC(=O)c1cccc(CN2CCc3ccccc32)c1.O=C(O)c1cccc(CN2CCc3ccccc32)c1.c1ccc2c(c1)CCN2
InChIInChI=1S/C22H21N3O.C16H15NO2.C10H12O2.C9H10O2.C8H9N/c23-19-9-2-3-10-20(19)24-22(26)18-8-5-6-16(14-18)15-25-13-12-17-7-1-4-11-21(17)25;18-16(19)14-6-3-4-12(10-14)11-17-9-8-13-5-1-2-7-15(13)17;1-2-8-3-5-9(6-4-8)10(12)7-11;1-2-7-3-5-8(6-4-7)9(10)11;1-2-4-8-7(3-1)5-6-9-8/h1-11,14H,12-13,15,23H2,(H,24,26);1-7,10H,8-9,11H2,(H,18,19);3-6,11H,2,7H2,1H3;3-6H,2H2,1H3,(H,10,11);1-4,9H,5-6H2
InChIKeyYXGOVVQFOKXJLS-UHFFFAOYSA-N
MW1030.28 g/mol
LogP12.06
Rot. Bonds12

About N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone

N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone (PubChem CID 162040931) has the molecular formula C65H67N5O7 and a molecular weight of 1030.28 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone
PubChem CID162040931
Molecular FormulaC65H67N5O7
Molecular Weight1030.28 g/mol
Exact Mass1029.50
IUPAC NameN-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone
SMILESCCc1ccc(C(=O)CO)cc1.CCc1ccc(C(=O)O)cc1.Nc1ccccc1NC(=O)c1cccc(CN2CCc3ccccc32)c1.O=C(O)c1cccc(CN2CCc3ccccc32)c1.c1ccc2c(c1)CCN2
InChIInChI=1S/C22H21N3O.C16H15NO2.C10H12O2.C9H10O2.C8H9N/c23-19-9-2-3-10-20(19)24-22(26)18-8-5-6-16(14-18)15-25-13-12-17-7-1-4-11-21(17)25;18-16(19)14-6-3-4-12(10-14)11-17-9-8-13-5-1-2-7-15(13)17;1-2-8-3-5-9(6-4-8)10(12)7-11;1-2-7-3-5-8(6-4-7)9(10)11;1-2-4-8-7(3-1)5-6-9-8/h1-11,14H,12-13,15,23H2,(H,24,26);1-7,10H,8-9,11H2,(H,18,19);3-6,11H,2,7H2,1H3;3-6H,2H2,1H3,(H,10,11);1-4,9H,5-6H2
InChIKeyYXGOVVQFOKXJLS-UHFFFAOYSA-N
XLogP12.06
TPSA185.53 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001030.28
LogP ≤ 512.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone with MolForge

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Related Compounds

N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 126638230
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
N-(2,4-difluorophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 92674557
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
ethyl 3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]-4-methylbenzoate
CID 92673369
N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 38005181
4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 43908264
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone?
The IUPAC name of N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone (CID 162040931) is N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone.
What is the SMILES notation for N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone?
The canonical SMILES for N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone is CCc1ccc(C(=O)CO)cc1.CCc1ccc(C(=O)O)cc1.Nc1ccccc1NC(=O)c1cccc(CN2CCc3ccccc32)c1.O=C(O)c1cccc(CN2CCc3ccccc32)c1.c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone?
The InChIKey is YXGOVVQFOKXJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O.C16H15NO2.C10H12O2.C9H10O2.C8H9N/c23-19-9-2-3-10-20(19)24-22(26)18-8-5-6-16(14-18)15-25-13-12-17-7-1-4-11-21(17)25;18-16(19)14-6-3-4-12(10-14)11-17-9-8-13-5-1-2-7-15(13)17;1-2-8-3-5-9(6-4-8)10(12)7-11;1-2-7-3-5-8(6-4-7)9(10)11;1-2-4-8-7(3-1)5-6-9-8/h1-11,14H,12-13,15,23H2,(H,24,26);1-7,10H,8-9,11H2,(H,18,19);3-6,11H,2,7H2,1H3;3-6H,2H2,1H3,(H,10,11);1-4,9H,5-6H2.
What are the key properties of N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone?
N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone has a molecular weight of 1030.28 g/mol, XLogP of 12.06, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone is sourced from PubChem (CID 162040931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).