ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate

C16H12Cl2N2O5 — CID 92671761

IUPACethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O5/c1-2-25-16(22)12-5-3-9(7-13(12)17)19-15(21)11-6-4-10(20(23)24)8-14(11)18/h3-8H,2H2,1H3,(H,19,21)
InChIKeyBDAHLTXFNYGSDD-UHFFFAOYSA-N
MW383.19 g/mol
LogP4.33
Rot. Bonds5

About ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate

ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate (PubChem CID 92671761) has the molecular formula C16H12Cl2N2O5 and a molecular weight of 383.19 g/mol. Its IUPAC name is ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
PubChem CID92671761
Molecular FormulaC16H12Cl2N2O5
Molecular Weight383.19 g/mol
Exact Mass382.01
IUPAC Nameethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O5/c1-2-25-16(22)12-5-3-9(7-13(12)17)19-15(21)11-6-4-10(20(23)24)8-14(11)18/h3-8H,2H2,1H3,(H,19,21)
InChIKeyBDAHLTXFNYGSDD-UHFFFAOYSA-N
XLogP4.33
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl 2-chloro-4-[(2-methyl-3-nitrobenzoyl)amino]benzoate
CID 92673713
2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide
CID 723709
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
CID 5192048
ethyl 4-[(2,4-dinitrobenzoyl)amino]benzoate
CID 3102908
N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
ethyl 3-[[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]-5-nitrobenzoate
CID 55878140
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 2616422
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
2-chloro-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-nitrobenzamide
CID 100803493
2-chloro-N-(3-fluoro-5-methylphenyl)-4-nitrobenzamide
CID 79044512
ethyl 6-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 5194395

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate (CID 92671761) is ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate?
The InChIKey is BDAHLTXFNYGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O5/c1-2-25-16(22)12-5-3-9(7-13(12)17)19-15(21)11-6-4-10(20(23)24)8-14(11)18/h3-8H,2H2,1H3,(H,19,21).
What are the key properties of ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate?
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate has a molecular weight of 383.19 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate is sourced from PubChem (CID 92671761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).