[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate

C24H17ClN2O2 — CID 6031687

IUPAC[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
SMILESO=C(Oc1ccc2ccccc2c1/C=N\Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H17ClN2O2/c25-19-13-10-18(11-14-19)24(28)29-23-15-12-17-6-4-5-9-21(17)22(23)16-26-27-20-7-2-1-3-8-20/h1-16,27H/b26-16-
InChIKeyFNRRSEPRFHKEJF-QQXSKIMKSA-N
MW400.87 g/mol
LogP6.16
Rot. Bonds5

About [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate

[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate (PubChem CID 6031687) has the molecular formula C24H17ClN2O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate.

Molecular Properties

Compound Name[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
PubChem CID6031687
Molecular FormulaC24H17ClN2O2
Molecular Weight400.87 g/mol
Exact Mass400.10
IUPAC Name[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
SMILESO=C(Oc1ccc2ccccc2c1/C=N\Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H17ClN2O2/c25-19-13-10-18(11-14-19)24(28)29-23-15-12-17-6-4-5-9-21(17)22(23)16-26-27-20-7-2-1-3-8-20/h1-16,27H/b26-16-
InChIKeyFNRRSEPRFHKEJF-QQXSKIMKSA-N
XLogP6.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 56.16
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[1-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 3442368
[1-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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[1-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 3470810
[1-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 3857540
4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline
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[1-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3557249
[1-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 6091808
[1-[[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 3861731
[1-[[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 3703890
[2-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
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Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate?
The IUPAC name of [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate (CID 6031687) is [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate.
What is the SMILES notation for [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate?
The canonical SMILES for [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate is O=C(Oc1ccc2ccccc2c1/C=N\Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate?
The InChIKey is FNRRSEPRFHKEJF-QQXSKIMKSA-N. The full InChI is InChI=1S/C24H17ClN2O2/c25-19-13-10-18(11-14-19)24(28)29-23-15-12-17-6-4-5-9-21(17)22(23)16-26-27-20-7-2-1-3-8-20/h1-16,27H/b26-16-.
What are the key properties of [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate?
[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate has a molecular weight of 400.87 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate is sourced from PubChem (CID 6031687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).