4-[(4-nitrophenyl)methylideneamino]benzoic acid

C14H10N2O4 — CID 2306400

IUPAC4-[(4-nitrophenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H10N2O4/c17-14(18)11-3-5-12(6-4-11)15-9-10-1-7-13(8-2-10)16(19)20/h1-9H,(H,17,18)/b15-9+
InChIKeyFICVOBBOEGEMHD-OQLLNIDSSA-N
MW270.24 g/mol
LogP3.04
Rot. Bonds4

About 4-[(4-nitrophenyl)methylideneamino]benzoic acid

4-[(4-nitrophenyl)methylideneamino]benzoic acid (PubChem CID 2306400) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-nitrophenyl)methylideneamino]benzoic acid
PubChem CID2306400
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name4-[(4-nitrophenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H10N2O4/c17-14(18)11-3-5-12(6-4-11)15-9-10-1-7-13(8-2-10)16(19)20/h1-9H,(H,17,18)/b15-9+
InChIKeyFICVOBBOEGEMHD-OQLLNIDSSA-N
XLogP3.04
TPSA92.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Nitrobenzoic Acid
CID 6108
4-(benzylideneamino)benzoic Acid
CID 687887
N-(4-Carboxyphenyl)salicylideneimine
CID 97114
2-Iodo-4-nitrobenzoic acid
CID 458964
4-(4-Hydroxybenzylideneamino)benzoic acid
CID 2306645
Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate
CID 52271
2-Fluoro-4-nitrobenzoic acid
CID 302679
Benzoic acid, 4,4'-(1-oxido-1,2-diazenediyl)bis-
CID 68494
4-(4-Tert-butylbenzylideneamino)benzoic acid
CID 45483280
N-(4-ethoxycarbonylphenyl)-1-phenylmethanimine oxide
CID 11687636
N,N'-(1,4-Phenylenedimethylidyne)bis(4-carboxyaniline)
CID 3419658
3-Fluoro-4-nitrobenzoic acid
CID 230653

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)methylideneamino]benzoic acid?
The IUPAC name of 4-[(4-nitrophenyl)methylideneamino]benzoic acid (CID 2306400) is 4-[(4-nitrophenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 4-[(4-nitrophenyl)methylideneamino]benzoic acid?
The canonical SMILES for 4-[(4-nitrophenyl)methylideneamino]benzoic acid is O=C(O)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)methylideneamino]benzoic acid?
The InChIKey is FICVOBBOEGEMHD-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-14(18)11-3-5-12(6-4-11)15-9-10-1-7-13(8-2-10)16(19)20/h1-9H,(H,17,18)/b15-9+.
What are the key properties of 4-[(4-nitrophenyl)methylideneamino]benzoic acid?
4-[(4-nitrophenyl)methylideneamino]benzoic acid has a molecular weight of 270.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 2306400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).