2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid

C16H14N2O3 — CID 177416207

IUPAC2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid
SMILESC/C(=N/N=C/c1ccccc1O)c1ccccc1C(=O)O
InChIInChI=1S/C16H14N2O3/c1-11(13-7-3-4-8-14(13)16(20)21)18-17-10-12-6-2-5-9-15(12)19/h2-10,19H,1H3,(H,20,21)/b17-10+,18-11-
InChIKeyCEUQHXFWQNORQK-VJTUXUFQSA-N
MW282.30 g/mol
LogP2.93
Rot. Bonds4

About 2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid

2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid (PubChem CID 177416207) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid.

Molecular Properties

Compound Name2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid
PubChem CID177416207
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid
SMILESC/C(=N/N=C/c1ccccc1O)c1ccccc1C(=O)O
InChIInChI=1S/C16H14N2O3/c1-11(13-7-3-4-8-14(13)16(20)21)18-17-10-12-6-2-5-9-15(12)19/h2-10,19H,1H3,(H,20,21)/b17-10+,18-11-
InChIKeyCEUQHXFWQNORQK-VJTUXUFQSA-N
XLogP2.93
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[C-methyl-N-(1-phenylethylideneamino)carbonimidoyl]benzoic acid
CID 90730243
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
CID 69303300
2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
CID 174908564
2-[[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
CID 135735412
2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol
CID 3815884
2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol
CID 135751843
benzene-1,2-diol;phthalic acid
CID 160861167
2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid
CID 137035148
2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol
CID 135545744
bis((NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate);nickel(2+)
CID 135409864
hydride;phthalic acid;rubidium(1+)
CID 173256629
2-(C-methyl-N-propan-2-ylcarbonimidoyl)benzoic acid
CID 118860081

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid?
The IUPAC name of 2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid (CID 177416207) is 2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid.
What is the SMILES notation for 2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid?
The canonical SMILES for 2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid is C/C(=N/N=C/c1ccccc1O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid?
The InChIKey is CEUQHXFWQNORQK-VJTUXUFQSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11(13-7-3-4-8-14(13)16(20)21)18-17-10-12-6-2-5-9-15(12)19/h2-10,19H,1H3,(H,20,21)/b17-10+,18-11-.
What are the key properties of 2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid?
2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid is sourced from PubChem (CID 177416207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).