methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate

C16H14N2O6 — CID 108785557

IUPACmethyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N2O6/c1-23-14-8-7-10(9-13(14)18(21)22)17-15(19)11-5-3-4-6-12(11)16(20)24-2/h3-9H,1-2H3,(H,17,19)
InChIKeyRFAGIFINCBWVCT-UHFFFAOYSA-N
MW330.30 g/mol
LogP2.64
Rot. Bonds5

About methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate

methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate (PubChem CID 108785557) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
PubChem CID108785557
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Namemethyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N2O6/c1-23-14-8-7-10(9-13(14)18(21)22)17-15(19)11-5-3-4-6-12(11)16(20)24-2/h3-9H,1-2H3,(H,17,19)
InChIKeyRFAGIFINCBWVCT-UHFFFAOYSA-N
XLogP2.64
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-2-methylbenzamide
CID 17100410
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
CID 953258
N-(4-methoxy-3-nitrophenyl)-1H-indole-4-carboxamide
CID 86787175
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
phenyl N-(4-methoxy-3-nitrophenyl)carbamate
CID 12877201
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide
CID 75484436
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate (CID 108785557) is methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate?
The InChIKey is RFAGIFINCBWVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-23-14-8-7-10(9-13(14)18(21)22)17-15(19)11-5-3-4-6-12(11)16(20)24-2/h3-9H,1-2H3,(H,17,19).
What are the key properties of methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate?
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate has a molecular weight of 330.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate is sourced from PubChem (CID 108785557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).