5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide

C32H30N4O4 — CID 157422187

IUPAC5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCc3cc(O)ccc32)c1.Cc1cccc(NC(=O)n2ccc3cc(O)ccc32)c1
InChIInChI=1S/C16H16N2O2.C16H14N2O2/c2*1-11-3-2-4-13(9-11)17-16(20)18-8-7-12-10-14(19)5-6-15(12)18/h2-6,9-10,19H,7-8H2,1H3,(H,17,20);2-10,19H,1H3,(H,17,20)
InChIKeyBPNRUOZETANXKB-UHFFFAOYSA-N
MW534.62 g/mol
LogP7.03
Rot. Bonds2

About 5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide

5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide (PubChem CID 157422187) has the molecular formula C32H30N4O4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide
PubChem CID157422187
Molecular FormulaC32H30N4O4
Molecular Weight534.62 g/mol
Exact Mass534.23
IUPAC Name5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCc3cc(O)ccc32)c1.Cc1cccc(NC(=O)n2ccc3cc(O)ccc32)c1
InChIInChI=1S/C16H16N2O2.C16H14N2O2/c2*1-11-3-2-4-13(9-11)17-16(20)18-8-7-12-10-14(19)5-6-15(12)18/h2-6,9-10,19H,7-8H2,1H3,(H,17,20);2-10,19H,1H3,(H,17,20)
InChIKeyBPNRUOZETANXKB-UHFFFAOYSA-N
XLogP7.03
TPSA106.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 57.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 139820772
N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 162489929
1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
CID 54030708
N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide
CID 71380614
N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221292
N-cyclopropyl-5-hydroxy-2,3-dihydroindole-1-carboxamide
CID 153363202
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
5-hydroxy-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 129045187
N-(3-methylphenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 71675462
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
5-(dimethylamino)-N-[3-(methylsulfanyliminomethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 139769221
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 15997795

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide?
The IUPAC name of 5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide (CID 157422187) is 5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide?
The canonical SMILES for 5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide is Cc1cccc(NC(=O)N2CCc3cc(O)ccc32)c1.Cc1cccc(NC(=O)n2ccc3cc(O)ccc32)c1.
What is the InChIKey of 5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide?
The InChIKey is BPNRUOZETANXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.C16H14N2O2/c2*1-11-3-2-4-13(9-11)17-16(20)18-8-7-12-10-14(19)5-6-15(12)18/h2-6,9-10,19H,7-8H2,1H3,(H,17,20);2-10,19H,1H3,(H,17,20).
What are the key properties of 5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide?
5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide has a molecular weight of 534.62 g/mol, XLogP of 7.03, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(3-methylphenyl)-2,3-dihydroindole-1-carboxamide;5-hydroxy-N-(3-methylphenyl)indole-1-carboxamide is sourced from PubChem (CID 157422187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).