2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

C19H13ClN2O5 — CID 126048390

IUPAC2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(N/N=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1O
InChIInChI=1S/C19H13ClN2O5/c20-15-9-11(5-7-13(15)19(25)26)17-8-6-12(27-17)10-21-22-18(24)14-3-1-2-4-16(14)23/h1-10,23H,(H,22,24)(H,25,26)/b21-10-
InChIKeyLNTOBIABVCJUIS-FBHDLOMBSA-N
MW384.78 g/mol
LogP3.77
Rot. Bonds5

About 2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 126048390) has the molecular formula C19H13ClN2O5 and a molecular weight of 384.78 g/mol. Its IUPAC name is 2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
PubChem CID126048390
Molecular FormulaC19H13ClN2O5
Molecular Weight384.78 g/mol
Exact Mass384.05
IUPAC Name2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(N/N=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1O
InChIInChI=1S/C19H13ClN2O5/c20-15-9-11(5-7-13(15)19(25)26)17-8-6-12(27-17)10-21-22-18(24)14-3-1-2-4-16(14)23/h1-10,23H,(H,22,24)(H,25,26)/b21-10-
InChIKeyLNTOBIABVCJUIS-FBHDLOMBSA-N
XLogP3.77
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-4-[5-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3429403
2-chloro-4-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126050897
4-[5-[[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 4060449
2-chloro-4-[5-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3269130
2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126053844
2-chloro-5-[5-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5445831
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3104265
2-chloro-4-[5-[(E)-(1,1,2,2,3,3,3-heptafluoropropylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 126046649
2-chloro-5-[5-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126267693
N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 5436996
4-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 96892435
ethyl 5-[5-[(E)-[(2-aminobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoate
CID 21370945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (CID 126048390) is 2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is O=C(N/N=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1O.
What is the InChIKey of 2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is LNTOBIABVCJUIS-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H13ClN2O5/c20-15-9-11(5-7-13(15)19(25)26)17-8-6-12(27-17)10-21-22-18(24)14-3-1-2-4-16(14)23/h1-10,23H,(H,22,24)(H,25,26)/b21-10-.
What are the key properties of 2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 384.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 126048390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).