N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide

C16H14N2O3 — CID 102712839

IUPACN-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCc3ccccc3O)cc2N1
InChIInChI=1S/C16H14N2O3/c19-14-4-2-1-3-12(14)9-17-16(21)11-6-5-10-8-15(20)18-13(10)7-11/h1-7,19H,8-9H2,(H,17,21)(H,18,20)
InChIKeyFLOKGJADTKIVSU-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.82
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide

N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102712839) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102712839
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCc3ccccc3O)cc2N1
InChIInChI=1S/C16H14N2O3/c19-14-4-2-1-3-12(14)9-17-16(21)11-6-5-10-8-15(20)18-13(10)7-11/h1-7,19H,8-9H2,(H,17,21)(H,18,20)
InChIKeyFLOKGJADTKIVSU-UHFFFAOYSA-N
XLogP1.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711893
N-(furan-2-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711822
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712117
2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102712365
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737501
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
N-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712353
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712371
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710806

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102712839) is N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide is O=C1Cc2ccc(C(=O)NCc3ccccc3O)cc2N1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is FLOKGJADTKIVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-14-4-2-1-3-12(14)9-17-16(21)11-6-5-10-8-15(20)18-13(10)7-11/h1-7,19H,8-9H2,(H,17,21)(H,18,20).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).