2-(2-nitroanilino)-4-phenylbenzoic acid

C19H14N2O4 — CID 68959849

IUPAC2-(2-nitroanilino)-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N2O4/c22-19(23)15-11-10-14(13-6-2-1-3-7-13)12-17(15)20-16-8-4-5-9-18(16)21(24)25/h1-12,20H,(H,22,23)
InChIKeyPZERPFNMUBKAKR-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.70
Rot. Bonds5

About 2-(2-nitroanilino)-4-phenylbenzoic acid

2-(2-nitroanilino)-4-phenylbenzoic acid (PubChem CID 68959849) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-(2-nitroanilino)-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-(2-nitroanilino)-4-phenylbenzoic acid
PubChem CID68959849
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name2-(2-nitroanilino)-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N2O4/c22-19(23)15-11-10-14(13-6-2-1-3-7-13)12-17(15)20-16-8-4-5-9-18(16)21(24)25/h1-12,20H,(H,22,23)
InChIKeyPZERPFNMUBKAKR-UHFFFAOYSA-N
XLogP4.70
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.70
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

2-(2-hydroxyanilino)-4-phenylbenzoic acid
CID 68960538
2-(2-fluoroanilino)-4-phenylbenzoic acid
CID 68958907
2-chloro-4-(2-nitroanilino)benzoic acid
CID 61399202
N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline
CID 177082964
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
2-(4-acetylanilino)-4-phenylbenzoic acid
CID 68960140
2-[2-(2-nitroanilino)phenyl]acetic acid
CID 18546327
2-nitro-4-(3-nitrophenyl)benzoic acid
CID 53226350
2-nitro-4-phenylphenol
CID 13447
2-nitro-4-phenyl-N-(2-propan-2-ylphenyl)aniline
CID 86729144
4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid
CID 68962733
2-[2-(4-anilino-3-nitrophenyl)ethenyl]-4-(4-fluorophenyl)benzoic acid
CID 67336038

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroanilino)-4-phenylbenzoic acid?
The IUPAC name of 2-(2-nitroanilino)-4-phenylbenzoic acid (CID 68959849) is 2-(2-nitroanilino)-4-phenylbenzoic acid.
What is the SMILES notation for 2-(2-nitroanilino)-4-phenylbenzoic acid?
The canonical SMILES for 2-(2-nitroanilino)-4-phenylbenzoic acid is O=C(O)c1ccc(-c2ccccc2)cc1Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitroanilino)-4-phenylbenzoic acid?
The InChIKey is PZERPFNMUBKAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-19(23)15-11-10-14(13-6-2-1-3-7-13)12-17(15)20-16-8-4-5-9-18(16)21(24)25/h1-12,20H,(H,22,23).
What are the key properties of 2-(2-nitroanilino)-4-phenylbenzoic acid?
2-(2-nitroanilino)-4-phenylbenzoic acid has a molecular weight of 334.33 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroanilino)-4-phenylbenzoic acid is sourced from PubChem (CID 68959849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).