2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid

C14H9ClN2O5 — CID 16776660

IUPAC2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H9ClN2O5/c15-11-4-2-1-3-9(11)13(18)16-12-6-5-8(17(21)22)7-10(12)14(19)20/h1-7H,(H,16,18)(H,19,20)
InChIKeyOKVZILIBFYAXTM-UHFFFAOYSA-N
MW320.69 g/mol
LogP3.20
Rot. Bonds4

About 2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid

2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid (PubChem CID 16776660) has the molecular formula C14H9ClN2O5 and a molecular weight of 320.69 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
PubChem CID16776660
Molecular FormulaC14H9ClN2O5
Molecular Weight320.69 g/mol
Exact Mass320.02
IUPAC Name2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H9ClN2O5/c15-11-4-2-1-3-9(11)13(18)16-12-6-5-8(17(21)22)7-10(12)14(19)20/h1-7H,(H,16,18)(H,19,20)
InChIKeyOKVZILIBFYAXTM-UHFFFAOYSA-N
XLogP3.20
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[3-carboxy-4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]benzoic acid
CID 5121715
N-(2-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 8749599
2-[[2-(2-methylpropanoyl)-4-nitrophenyl]carbamoyl]benzoic acid
CID 22303379
3-[(2-chloro-4-nitrobenzoyl)amino]-2-methylbenzoic acid
CID 28671552
2-chloro-N-[2-[(2-chlorophenyl)-hydroxymethyl]-4-nitrophenyl]benzamide
CID 158730651
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid
CID 4504567
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 1354566
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
2-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]benzoic acid
CID 2190152
3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
5-nitro-2-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921366

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid (CID 16776660) is 2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid is O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid?
The InChIKey is OKVZILIBFYAXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O5/c15-11-4-2-1-3-9(11)13(18)16-12-6-5-8(17(21)22)7-10(12)14(19)20/h1-7H,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid?
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid has a molecular weight of 320.69 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid is sourced from PubChem (CID 16776660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).