4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid

C16H14N2O8 — CID 108744160

IUPAC4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)O)cc2O)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H14N2O8/c1-25-13-6-9(11(18(23)24)7-14(13)26-2)15(20)17-10-4-3-8(16(21)22)5-12(10)19/h3-7,19H,1-2H3,(H,17,20)(H,21,22)
InChIKeyVRUMMXJKBVKUGV-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.27
Rot. Bonds6

About 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid

4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid (PubChem CID 108744160) has the molecular formula C16H14N2O8 and a molecular weight of 362.29 g/mol. Its IUPAC name is 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid
PubChem CID108744160
Molecular FormulaC16H14N2O8
Molecular Weight362.29 g/mol
Exact Mass362.08
IUPAC Name4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)O)cc2O)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H14N2O8/c1-25-13-6-9(11(18(23)24)7-14(13)26-2)15(20)17-10-4-3-8(16(21)22)5-12(10)19/h3-7,19H,1-2H3,(H,17,20)(H,21,22)
InChIKeyVRUMMXJKBVKUGV-UHFFFAOYSA-N
XLogP2.27
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid 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

4-[(4-chloro-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid
CID 108744258
dimethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1351875
3-hydroxy-4-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoic acid
CID 108744179
4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide
CID 17397142
4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 108766491
4,5-dimethoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]benzoic acid
CID 1260419
N-(2,4-dimethoxyphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 8927273
N-(4-bromophenyl)-4,5-dimethoxy-2-nitrobenzamide
CID 1350567
1-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroethanone
CID 112720386
N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213685
methyl 3-hydroxy-4-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoate
CID 108744835
4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 58230869

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid (CID 108744160) is 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid is COc1cc(C(=O)Nc2ccc(C(=O)O)cc2O)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid?
The InChIKey is VRUMMXJKBVKUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O8/c1-25-13-6-9(11(18(23)24)7-14(13)26-2)15(20)17-10-4-3-8(16(21)22)5-12(10)19/h3-7,19H,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid?
4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid has a molecular weight of 362.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 108744160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).