[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate

C19H15ClN2O3 — CID 5348667

IUPAC[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
SMILESN/C(=N\OC(=O)COc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O3/c20-16-8-5-14(6-9-16)19(21)22-25-18(23)12-24-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2,(H2,21,22)
InChIKeyCDKDUEIJFHSAFA-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.74
Rot. Bonds5

About [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate

[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate (PubChem CID 5348667) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
PubChem CID5348667
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
SMILESN/C(=N\OC(=O)COc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O3/c20-16-8-5-14(6-9-16)19(21)22-25-18(23)12-24-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2,(H2,21,22)
InChIKeyCDKDUEIJFHSAFA-UHFFFAOYSA-N
XLogP3.74
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)acetate
CID 2885323
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
[[amino-(4-chlorophenyl)methylidene]amino] naphthalene-2-carboxylate
CID 2903183
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate
CID 2913363
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-nitrophenoxy)acetate
CID 2204314
[[amino(phenyl)methylidene]amino] 2-(3,4-dimethylphenoxy)acetate
CID 2957050
[[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 3821505
[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 170771225
[[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate
CID 73398027
[(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 28958492
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348508

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate (CID 5348667) is [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate is N/C(=N\OC(=O)COc1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate?
The InChIKey is CDKDUEIJFHSAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-16-8-5-14(6-9-16)19(21)22-25-18(23)12-24-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2,(H2,21,22).
What are the key properties of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate?
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate has a molecular weight of 354.79 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 5348667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).