5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid

C17H13ClN2O3 — CID 4181543

IUPAC5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid
SMILESCC(=NNc1ccc(Cl)c(C(=O)O)c1)c1cc2ccccc2o1
InChIInChI=1S/C17H13ClN2O3/c1-10(16-8-11-4-2-3-5-15(11)23-16)19-20-12-6-7-14(18)13(9-12)17(21)22/h2-9,20H,1H3,(H,21,22)
InChIKeyHZFNPAUGYFUUTH-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.62
Rot. Bonds4

About 5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid

5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid (PubChem CID 4181543) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid
PubChem CID4181543
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid
SMILESCC(=NNc1ccc(Cl)c(C(=O)O)c1)c1cc2ccccc2o1
InChIInChI=1S/C17H13ClN2O3/c1-10(16-8-11-4-2-3-5-15(11)23-16)19-20-12-6-7-14(18)13(9-12)17(21)22/h2-9,20H,1H3,(H,21,22)
InChIKeyHZFNPAUGYFUUTH-UHFFFAOYSA-N
XLogP4.62
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013735
3-[(E)-N-(3-chloroanilino)-C-methylcarbonimidoyl]chromen-2-one
CID 139225160
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-chloro-2-hydroxybenzamide
CID 9297796
1-(1-benzofuran-2-yl)-2-(3,4-dichloroanilino)ethanone
CID 110824293
2-chloro-5-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 4300959
N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24708217
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
CID 6149535
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
5-[5-[N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]furan-2-yl]-2-chlorobenzoic acid
CID 74430210

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid?
The IUPAC name of 5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid (CID 4181543) is 5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid?
The canonical SMILES for 5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid is CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1cc2ccccc2o1.
What is the InChIKey of 5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid?
The InChIKey is HZFNPAUGYFUUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-10(16-8-11-4-2-3-5-15(11)23-16)19-20-12-6-7-14(18)13(9-12)17(21)22/h2-9,20H,1H3,(H,21,22).
What are the key properties of 5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid?
5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid has a molecular weight of 328.76 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid is sourced from PubChem (CID 4181543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).