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

C14H8Cl2FN2O2- — CID 8973525

IUPAC4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
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)/p-1/b18-7-
InChIKeyDYMXKAHWVQQAMJ-WSVATBPTSA-M
MW326.13 g/mol
LogP2.94
Rot. Bonds4

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

4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate (PubChem CID 8973525) has the molecular formula C14H8Cl2FN2O2- and a molecular weight of 326.13 g/mol. Its IUPAC name is 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
PubChem CID8973525
Molecular FormulaC14H8Cl2FN2O2-
Molecular Weight326.13 g/mol
Exact Mass325.00
IUPAC Name4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
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)/p-1/b18-7-
InChIKeyDYMXKAHWVQQAMJ-WSVATBPTSA-M
XLogP2.94
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 52.94
H-Bond Donors ≤ 51
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

4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973526
4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066818
3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066819
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
4-chloro-3-[(2E)-2-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]hydrazinyl]benzoate
CID 135846230
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
4-chloro-3-[(2Z)-2-[(1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoate
CID 8974334
4-chloro-3-[(2Z)-2-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylidene]hydrazinyl]benzoate
CID 8974239
4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973534
2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 6082903
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6907884

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate (CID 8973525) is 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate 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]benzoate?
The InChIKey is DYMXKAHWVQQAMJ-WSVATBPTSA-M. 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)/p-1/b18-7-.
What are the key properties of 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 326.13 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 8973525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).