4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid

C14H9Cl2FN2O2 — CID 8973526

IUPAC4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(N/N=C\c2c(F)cccc2Cl)c1
InChIInChI=1S/C14H9Cl2FN2O2/c15-10-2-1-3-12(17)9(10)7-18-19-13-6-8(14(20)21)4-5-11(13)16/h1-7,19H,(H,20,21)/b18-7-
InChIKeyDYMXKAHWVQQAMJ-WSVATBPTSA-N
MW327.14 g/mol
LogP4.28
Rot. Bonds4

About 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid

4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 8973526) has the molecular formula C14H9Cl2FN2O2 and a molecular weight of 327.14 g/mol. Its IUPAC name is 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID8973526
Molecular FormulaC14H9Cl2FN2O2
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC Name4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(N/N=C\c2c(F)cccc2Cl)c1
InChIInChI=1S/C14H9Cl2FN2O2/c15-10-2-1-3-12(17)9(10)7-18-19-13-6-8(14(20)21)4-5-11(13)16/h1-7,19H,(H,20,21)/b18-7-
InChIKeyDYMXKAHWVQQAMJ-WSVATBPTSA-N
XLogP4.28
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 54.28
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

4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 8973525
4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973534
4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066818
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 8973586
3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066819
4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 8973444
3-[(2Z)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-4-chlorobenzoic acid
CID 8973463
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
3-[(2Z)-2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylidene]hydrazinyl]-4-chlorobenzoic acid
CID 8974021
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841674

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid (CID 8973526) is 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1ccc(Cl)c(N/N=C\c2c(F)cccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is DYMXKAHWVQQAMJ-WSVATBPTSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O2/c15-10-2-1-3-12(17)9(10)7-18-19-13-6-8(14(20)21)4-5-11(13)16/h1-7,19H,(H,20,21)/b18-7-.
What are the key properties of 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 327.14 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 8973526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).