N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

C16H16N2O2 — CID 107701339

IUPACN-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccccc3N2)cc1O
InChIInChI=1S/C16H16N2O2/c1-10-6-7-12(9-15(10)19)17-16(20)14-8-11-4-2-3-5-13(11)18-14/h2-7,9,14,18-19H,8H2,1H3,(H,17,20)
InChIKeyLDGBWGIOGKNIMU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.68
Rot. Bonds2

About N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 107701339) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID107701339
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccccc3N2)cc1O
InChIInChI=1S/C16H16N2O2/c1-10-6-7-12(9-15(10)19)17-16(20)14-8-11-4-2-3-5-13(11)18-14/h2-7,9,14,18-19H,8H2,1H3,(H,17,20)
InChIKeyLDGBWGIOGKNIMU-UHFFFAOYSA-N
XLogP2.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 62813197
N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106954312
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 43185137
N-(3-hydroxy-2,4-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887740
(2S)-N-(5-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178266
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76891863
(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147929
N-(4-chloro-3-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887353
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747
(2S)-N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61179485
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 107701339) is N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(NC(=O)C2Cc3ccccc3N2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is LDGBWGIOGKNIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-6-7-12(9-15(10)19)17-16(20)14-8-11-4-2-3-5-13(11)18-14/h2-7,9,14,18-19H,8H2,1H3,(H,17,20).
What are the key properties of N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 107701339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).