[[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate

C20H17ClN2O3 — CID 73398027

IUPAC[[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate
SMILESCCOc1cc2ccccc2cc1C(=O)ON=C(N)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3/c1-2-25-18-12-15-6-4-3-5-14(15)11-17(18)20(24)26-23-19(22)13-7-9-16(21)10-8-13/h3-12H,2H2,1H3,(H2,22,23)
InChIKeyHUEUAOIKBOMCKX-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.37
Rot. Bonds5

About [[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate

[[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate (PubChem CID 73398027) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is [[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate
PubChem CID73398027
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name[[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate
SMILESCCOc1cc2ccccc2cc1C(=O)ON=C(N)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3/c1-2-25-18-12-15-6-4-3-5-14(15)11-17(18)20(24)26-23-19(22)13-7-9-16(21)10-8-13/h3-12H,2H2,1H3,(H2,22,23)
InChIKeyHUEUAOIKBOMCKX-UHFFFAOYSA-N
XLogP4.37
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.37
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] naphthalene-2-carboxylate
CID 2903183
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-chloro-2-phenylmethoxybenzoate
CID 8813160
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348667
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
CID 24505759
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
CID 5349145
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate
CID 19292090
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate
CID 46500526
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate
CID 2913363
[[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dimethoxybenzoate
CID 3296382
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea
CID 142738438
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874

Frequently Asked Questions

What is the IUPAC name of [[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate?
The IUPAC name of [[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate (CID 73398027) is [[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate.
What is the SMILES notation for [[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate?
The canonical SMILES for [[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate is CCOc1cc2ccccc2cc1C(=O)ON=C(N)c1ccc(Cl)cc1.
What is the InChIKey of [[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate?
The InChIKey is HUEUAOIKBOMCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-2-25-18-12-15-6-4-3-5-14(15)11-17(18)20(24)26-23-19(22)13-7-9-16(21)10-8-13/h3-12H,2H2,1H3,(H2,22,23).
What are the key properties of [[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate?
[[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate has a molecular weight of 368.82 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(4-chlorophenyl)methylidene]amino] 3-ethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 73398027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).