methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate

C15H12N2O6 — CID 108798714

IUPACmethyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H12N2O6/c1-23-15(20)11-5-3-2-4-10(11)14(19)16-12-7-6-9(17(21)22)8-13(12)18/h2-8,18H,1H3,(H,16,19)
InChIKeyJHDBOQVNYFFGII-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.34
Rot. Bonds4

About methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate

methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate (PubChem CID 108798714) has the molecular formula C15H12N2O6 and a molecular weight of 316.27 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
PubChem CID108798714
Molecular FormulaC15H12N2O6
Molecular Weight316.27 g/mol
Exact Mass316.07
IUPAC Namemethyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H12N2O6/c1-23-15(20)11-5-3-2-4-10(11)14(19)16-12-7-6-9(17(21)22)8-13(12)18/h2-8,18H,1H3,(H,16,19)
InChIKeyJHDBOQVNYFFGII-UHFFFAOYSA-N
XLogP2.34
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

methyl 3-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108799749
3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
methyl 5-[(2-hydroxy-4-nitrobenzoyl)amino]-2,4-dimethylbenzoate
CID 167912394
5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
CID 4982416
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
methyl 3-[(2-iodo-5-nitrobenzoyl)amino]-2-methylbenzoate
CID 78904302
methyl 2-[(5-nitro-1H-indole-2-carbonyl)amino]benzoate
CID 162668769
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide
CID 21184645
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
CID 19474478
methyl 2-hydroxy-3-[(4-nitrobenzoyl)amino]benzoate
CID 71425955

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate (CID 108798714) is methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate?
The InChIKey is JHDBOQVNYFFGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6/c1-23-15(20)11-5-3-2-4-10(11)14(19)16-12-7-6-9(17(21)22)8-13(12)18/h2-8,18H,1H3,(H,16,19).
What are the key properties of methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate?
methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate has a molecular weight of 316.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate is sourced from PubChem (CID 108798714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).