2-[2-(2-nitroanilino)phenyl]acetic acid

C14H12N2O4 — CID 18546327

IUPAC2-[2-(2-nitroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4/c17-14(18)9-10-5-1-2-6-11(10)15-12-7-3-4-8-13(12)16(19)20/h1-8,15H,9H2,(H,17,18)
InChIKeyLOUACTOCYMGTAJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.97
Rot. Bonds5

About 2-[2-(2-nitroanilino)phenyl]acetic acid

2-[2-(2-nitroanilino)phenyl]acetic acid (PubChem CID 18546327) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[2-(2-nitroanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-nitroanilino)phenyl]acetic acid
PubChem CID18546327
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[2-(2-nitroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4/c17-14(18)9-10-5-1-2-6-11(10)15-12-7-3-4-8-13(12)16(19)20/h1-8,15H,9H2,(H,17,18)
InChIKeyLOUACTOCYMGTAJ-UHFFFAOYSA-N
XLogP2.97
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.97
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-(2-fluoro-5-nitroanilino)phenyl]acetic acid
CID 18546325
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
2-(2-nitroanilino)-4-phenylbenzoic acid
CID 68959849
[4-(2-nitroanilino)phenyl]-[2-(phenoxymethyl)phenyl]methanone
CID 18358162
carbamic acid;N-methyl-2-nitroaniline
CID 175546963
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
(2-nitrophenyl)methylcarbamic acid
CID 18621803
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
2-methylidene-4-(2-nitroanilino)butanoic acid
CID 23139707
8-[(2-nitrophenyl)carbamoylamino]octanoic acid
CID 15858542
[3-(2-nitroanilino)phenyl]methylcarbamic acid
CID 70031184

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitroanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-nitroanilino)phenyl]acetic acid (CID 18546327) is 2-[2-(2-nitroanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-nitroanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-nitroanilino)phenyl]acetic acid is O=C(O)Cc1ccccc1Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-nitroanilino)phenyl]acetic acid?
The InChIKey is LOUACTOCYMGTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-14(18)9-10-5-1-2-6-11(10)15-12-7-3-4-8-13(12)16(19)20/h1-8,15H,9H2,(H,17,18).
What are the key properties of 2-[2-(2-nitroanilino)phenyl]acetic acid?
2-[2-(2-nitroanilino)phenyl]acetic acid has a molecular weight of 272.26 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitroanilino)phenyl]acetic acid is sourced from PubChem (CID 18546327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).