2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid

C20H14N2O6 — CID 67342906

IUPAC2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid
SMILESO=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N2O6/c23-19(13-5-4-6-14(11-13)22(26)27)21-18-12-16(9-10-17(18)20(24)25)28-15-7-2-1-3-8-15/h1-12H,(H,21,23)(H,24,25)
InChIKeyMHUMPZLEXDUMEZ-UHFFFAOYSA-N
MW378.34 g/mol
LogP4.34
Rot. Bonds6

About 2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid

2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid (PubChem CID 67342906) has the molecular formula C20H14N2O6 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid.

Molecular Properties

Compound Name2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid
PubChem CID67342906
Molecular FormulaC20H14N2O6
Molecular Weight378.34 g/mol
Exact Mass378.09
IUPAC Name2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid
SMILESO=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N2O6/c23-19(13-5-4-6-14(11-13)22(26)27)21-18-12-16(9-10-17(18)20(24)25)28-15-7-2-1-3-8-15/h1-12H,(H,21,23)(H,24,25)
InChIKeyMHUMPZLEXDUMEZ-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-benzamido-4-(4-nitrophenoxy)benzoic acid
CID 67343170
tert-butyl 2-benzamido-4-(3-nitrophenoxy)benzenecarboperoxoate
CID 174535053
2-benzamido-4-(3-fluorophenoxy)benzoic acid
CID 67341850
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-[2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid
CID 18506192
4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid
CID 67343472
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide
CID 2989529
2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
CID 67344063
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
3-nitro-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4133281

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid?
The IUPAC name of 2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid (CID 67342906) is 2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid.
What is the SMILES notation for 2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid?
The canonical SMILES for 2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid is O=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid?
The InChIKey is MHUMPZLEXDUMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O6/c23-19(13-5-4-6-14(11-13)22(26)27)21-18-12-16(9-10-17(18)20(24)25)28-15-7-2-1-3-8-15/h1-12H,(H,21,23)(H,24,25).
What are the key properties of 2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid?
2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic 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-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid is sourced from PubChem (CID 67342906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).