methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate

C15H11ClN2O5 — CID 17409028

IUPACmethyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN2O5/c1-23-15(20)12-6-5-10(16)8-13(12)17-14(19)9-3-2-4-11(7-9)18(21)22/h2-8H,1H3,(H,17,19)
InChIKeyNAIUPMHFFIEQBN-UHFFFAOYSA-N
MW334.72 g/mol
LogP3.29
Rot. Bonds4

About methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate

methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate (PubChem CID 17409028) has the molecular formula C15H11ClN2O5 and a molecular weight of 334.72 g/mol. Its IUPAC name is methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate
PubChem CID17409028
Molecular FormulaC15H11ClN2O5
Molecular Weight334.72 g/mol
Exact Mass334.04
IUPAC Namemethyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN2O5/c1-23-15(20)12-6-5-10(16)8-13(12)17-14(19)9-3-2-4-11(7-9)18(21)22/h2-8H,1H3,(H,17,19)
InChIKeyNAIUPMHFFIEQBN-UHFFFAOYSA-N
XLogP3.29
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 53.29
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'}

Analyze methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
CID 81272714
methyl 5-[(2,5-dichlorophenyl)carbamoyl]-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 17063068
methyl 3-[(5-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate
CID 740228
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
methyl 3-[(2-benzoyl-4-chlorophenyl)carbamoyl]-5-nitrobenzoate
CID 1279650
methyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-nitrobenzoate
CID 1279641
ethane;methyl 3-nitrobenzoate
CID 166455377
N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide
CID 1313410
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
CID 1313581
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 9138806
methyl 4-nitro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 69206811

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate (CID 17409028) is methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate is COC(=O)c1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate?
The InChIKey is NAIUPMHFFIEQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O5/c1-23-15(20)12-6-5-10(16)8-13(12)17-14(19)9-3-2-4-11(7-9)18(21)22/h2-8H,1H3,(H,17,19).
What are the key properties of methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate?
methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate has a molecular weight of 334.72 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate is sourced from PubChem (CID 17409028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).