N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide

C16H12N4O4 — CID 3870793

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
SMILESCc1cccc(C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1
InChIInChI=1S/C16H12N4O4/c1-9-3-2-4-10(7-9)15(21)19-18-14-12-8-11(20(23)24)5-6-13(12)17-16(14)22/h2-8,17,22H,1H3/b19-18+
InChIKeyFYOJZIDQWXCMSY-VHEBQXMUSA-N
MW324.30 g/mol
LogP4.01
Rot. Bonds3

About N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide (PubChem CID 3870793) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
PubChem CID3870793
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
SMILESCc1cccc(C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1
InChIInChI=1S/C16H12N4O4/c1-9-3-2-4-10(7-9)15(21)19-18-14-12-8-11(20(23)24)5-6-13(12)17-16(14)22/h2-8,17,22H,1H3/b19-18+
InChIKeyFYOJZIDQWXCMSY-VHEBQXMUSA-N
XLogP4.01
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-3-nitrobenzamide
CID 3675152
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide
CID 135592265
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide
CID 136544251
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
CID 3382763
2-(4-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3H-benzimidazole-5-carboxamide
CID 172646008
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]pyridine-2-carboxamide
CID 3101810
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236
(2R)-2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenylacetamide
CID 135617256

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide (CID 3870793) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide is Cc1cccc(C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1.
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide?
The InChIKey is FYOJZIDQWXCMSY-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H12N4O4/c1-9-3-2-4-10(7-9)15(21)19-18-14-12-8-11(20(23)24)5-6-13(12)17-16(14)22/h2-8,17,22H,1H3/b19-18+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide has a molecular weight of 324.30 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide is sourced from PubChem (CID 3870793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).