2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid

C14H11FN2O4 — CID 18546325

IUPAC2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H11FN2O4/c15-11-6-5-10(17(20)21)8-13(11)16-12-4-2-1-3-9(12)7-14(18)19/h1-6,8,16H,7H2,(H,18,19)
InChIKeyADWYQCXPRVPFRK-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.10
Rot. Bonds5

About 2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid

2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid (PubChem CID 18546325) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid
PubChem CID18546325
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H11FN2O4/c15-11-6-5-10(17(20)21)8-13(11)16-12-4-2-1-3-9(12)7-14(18)19/h1-6,8,16H,7H2,(H,18,19)
InChIKeyADWYQCXPRVPFRK-UHFFFAOYSA-N
XLogP3.10
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.10
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-nitroanilino)phenyl]acetic acid
CID 18546327
2-(2-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103602366
4-(2-fluoro-5-nitroanilino)butanoic acid
CID 18073180
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
CID 4043303
3-[(2-fluoro-5-nitrophenyl)carbamoylamino]butanoic acid
CID 61197131
3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 55110565
4-amino-5-(2-fluoro-5-nitroanilino)-5-oxopentanoic acid
CID 64896003
N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
CID 1121904
1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079927
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
(2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1343901

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid (CID 18546325) is 2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid is O=C(O)Cc1ccccc1Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid?
The InChIKey is ADWYQCXPRVPFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-11-6-5-10(17(20)21)8-13(11)16-12-4-2-1-3-9(12)7-14(18)19/h1-6,8,16H,7H2,(H,18,19).
What are the key properties of 2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid?
2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid has a molecular weight of 290.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid is sourced from PubChem (CID 18546325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).