2-benzamido-4-(4-nitrophenoxy)benzoic acid

C20H14N2O6 — CID 67343170

IUPAC2-benzamido-4-(4-nitrophenoxy)benzoic acid
SMILESO=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C20H14N2O6/c23-19(13-4-2-1-3-5-13)21-18-12-16(10-11-17(18)20(24)25)28-15-8-6-14(7-9-15)22(26)27/h1-12H,(H,21,23)(H,24,25)
InChIKeySZCDKSQONOQUES-UHFFFAOYSA-N
MW378.34 g/mol
LogP4.34
Rot. Bonds6

About 2-benzamido-4-(4-nitrophenoxy)benzoic acid

2-benzamido-4-(4-nitrophenoxy)benzoic acid (PubChem CID 67343170) has the molecular formula C20H14N2O6 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-benzamido-4-(4-nitrophenoxy)benzoic acid.

Molecular Properties

Compound Name2-benzamido-4-(4-nitrophenoxy)benzoic acid
PubChem CID67343170
Molecular FormulaC20H14N2O6
Molecular Weight378.34 g/mol
Exact Mass378.09
IUPAC Name2-benzamido-4-(4-nitrophenoxy)benzoic acid
SMILESO=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C20H14N2O6/c23-19(13-4-2-1-3-5-13)21-18-12-16(10-11-17(18)20(24)25)28-15-8-6-14(7-9-15)22(26)27/h1-12H,(H,21,23)(H,24,25)
InChIKeySZCDKSQONOQUES-UHFFFAOYSA-N
XLogP4.34
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 54.34
H-Bond Donors ≤ 52
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

2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid
CID 67342906
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
tert-butyl 2-benzamido-4-(3-nitrophenoxy)benzenecarboperoxoate
CID 174535053
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
2-benzamido-4-(3-fluorophenoxy)benzoic acid
CID 67341850
2-[(4-acetyloxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67342997
4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid
CID 67343472
N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide
CID 2989529
2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
CID 67344063
N-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171
4-nitro-2-(pyridine-4-carbonylamino)benzoic acid
CID 63111000
2-[(2-hydroxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67343612

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-(4-nitrophenoxy)benzoic acid?
The IUPAC name of 2-benzamido-4-(4-nitrophenoxy)benzoic acid (CID 67343170) is 2-benzamido-4-(4-nitrophenoxy)benzoic acid.
What is the SMILES notation for 2-benzamido-4-(4-nitrophenoxy)benzoic acid?
The canonical SMILES for 2-benzamido-4-(4-nitrophenoxy)benzoic acid is O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-4-(4-nitrophenoxy)benzoic acid?
The InChIKey is SZCDKSQONOQUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O6/c23-19(13-4-2-1-3-5-13)21-18-12-16(10-11-17(18)20(24)25)28-15-8-6-14(7-9-15)22(26)27/h1-12H,(H,21,23)(H,24,25).
What are the key properties of 2-benzamido-4-(4-nitrophenoxy)benzoic acid?
2-benzamido-4-(4-nitrophenoxy)benzoic acid has a molecular weight of 378.34 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-(4-nitrophenoxy)benzoic acid is sourced from PubChem (CID 67343170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).