N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide

C20H17ClN2O3 — CID 3840478

IUPACN-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCOc1ccc(Cl)cc1C=NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C20H17ClN2O3/c1-25-19-9-7-17(21)10-16(19)12-22-23-20(24)13-26-18-8-6-14-4-2-3-5-15(14)11-18/h2-12H,13H2,1H3,(H,23,24)
InChIKeyCMZRBDFLXXYGHT-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.03
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 3840478) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID3840478
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCOc1ccc(Cl)cc1C=NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C20H17ClN2O3/c1-25-19-9-7-17(21)10-16(19)12-22-23-20(24)13-26-18-8-6-14-4-2-3-5-15(14)11-18/h2-12H,13H2,1H3,(H,23,24)
InChIKeyCMZRBDFLXXYGHT-UHFFFAOYSA-N
XLogP4.03
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.03
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

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3762152
2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide
CID 3097765
[2-methoxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6267909
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6165893
[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 4073981
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
2-(3-chlorophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 4603346
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 39819272
2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750
[4-bromo-2-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 5194527
[1-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 3858910
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 54784607

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide (CID 3840478) is N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide is COc1ccc(Cl)cc1C=NNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is CMZRBDFLXXYGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-25-19-9-7-17(21)10-16(19)12-22-23-20(24)13-26-18-8-6-14-4-2-3-5-15(14)11-18/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 368.82 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 3840478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).