N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide

C16H13N3O2 — CID 747707

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H13N3O2/c1-10-6-8-11(9-7-10)15(20)19-18-14-12-4-2-3-5-13(12)17-16(14)21/h2-9,17,21H,1H3/b19-18+
InChIKeyXNOWHDJBCVOQGM-VHEBQXMUSA-N
MW279.30 g/mol
LogP4.11
Rot. Bonds2

About N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide (PubChem CID 747707) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
PubChem CID747707
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H13N3O2/c1-10-6-8-11(9-7-10)15(20)19-18-14-12-4-2-3-5-13(12)17-16(14)21/h2-9,17,21H,1H3/b19-18+
InChIKeyXNOWHDJBCVOQGM-VHEBQXMUSA-N
XLogP4.11
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide (CID 747707) is N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide is Cc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide?
The InChIKey is XNOWHDJBCVOQGM-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-6-8-11(9-7-10)15(20)19-18-14-12-4-2-3-5-13(12)17-16(14)21/h2-9,17,21H,1H3/b19-18+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide has a molecular weight of 279.30 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide is sourced from PubChem (CID 747707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).