3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid

C15H12Cl2N2O2 — CID 16555836

IUPAC3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N\Nc1cccc(C(=O)O)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c1-9(13-8-11(16)5-6-14(13)17)18-19-12-4-2-3-10(7-12)15(20)21/h2-8,19H,1H3,(H,20,21)/b18-9+
InChIKeyLGXNLCCSATWKMN-GIJQJNRQSA-N
MW323.18 g/mol
LogP4.53
Rot. Bonds4

About 3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid

3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 16555836) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID16555836
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N\Nc1cccc(C(=O)O)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c1-9(13-8-11(16)5-6-14(13)17)18-19-12-4-2-3-10(7-12)15(20)21/h2-8,19H,1H3,(H,20,21)/b18-9+
InChIKeyLGXNLCCSATWKMN-GIJQJNRQSA-N
XLogP4.53
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 6300123
3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
CID 3541372
4-[(E)-N-(3-carboxyanilino)-C-methylcarbonimidoyl]phenolate
CID 135775244
N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline
CID 174945820
3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid
CID 16555832
3-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]benzoic acid
CID 135775253
4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 8825826
4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90733537
3-(3-chloro-4-fluoroanilino)benzoic acid
CID 82536192
3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
CID 91183805
4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 8973586
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid (CID 16555836) is 3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid is C/C(=N\Nc1cccc(C(=O)O)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is LGXNLCCSATWKMN-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-9(13-8-11(16)5-6-14(13)17)18-19-12-4-2-3-10(7-12)15(20)21/h2-8,19H,1H3,(H,20,21)/b18-9+.
What are the key properties of 3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid?
3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 323.18 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 16555836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).