2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid

C15H10Cl2N2O5 — CID 28671342

IUPAC2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2N2O5/c1-7-2-3-8(4-13(7)19(23)24)14(20)18-12-5-9(15(21)22)10(16)6-11(12)17/h2-6H,1H3,(H,18,20)(H,21,22)
InChIKeyKERLXNVHZJMLHL-UHFFFAOYSA-N
MW369.16 g/mol
LogP4.16
Rot. Bonds4

About 2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid

2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid (PubChem CID 28671342) has the molecular formula C15H10Cl2N2O5 and a molecular weight of 369.16 g/mol. Its IUPAC name is 2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
PubChem CID28671342
Molecular FormulaC15H10Cl2N2O5
Molecular Weight369.16 g/mol
Exact Mass368.00
IUPAC Name2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2N2O5/c1-7-2-3-8(4-13(7)19(23)24)14(20)18-12-5-9(15(21)22)10(16)6-11(12)17/h2-6H,1H3,(H,18,20)(H,21,22)
InChIKeyKERLXNVHZJMLHL-UHFFFAOYSA-N
XLogP4.16
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 54.16
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-chloro-2-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
CID 45433922
N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954
N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-methyl-3-nitrobenzamide
CID 4502272
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
CID 2668909
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
N-(2-chloro-6-methylphenyl)-4-methyl-3-nitrobenzamide
CID 711319
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid (CID 28671342) is 2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid?
The InChIKey is KERLXNVHZJMLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O5/c1-7-2-3-8(4-13(7)19(23)24)14(20)18-12-5-9(15(21)22)10(16)6-11(12)17/h2-6H,1H3,(H,18,20)(H,21,22).
What are the key properties of 2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid?
2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid has a molecular weight of 369.16 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid is sourced from PubChem (CID 28671342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).