2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide

C20H17ClN2O2 — CID 5229956

IUPAC2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
SMILESCc1cc(OCC(=O)NN=Cc2cccc3ccccc23)ccc1Cl
InChIInChI=1S/C20H17ClN2O2/c1-14-11-17(9-10-19(14)21)25-13-20(24)23-22-12-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyKXMMGKYCCGJKTF-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide

2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide (PubChem CID 5229956) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
PubChem CID5229956
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
SMILESCc1cc(OCC(=O)NN=Cc2cccc3ccccc23)ccc1Cl
InChIInChI=1S/C20H17ClN2O2/c1-14-11-17(9-10-19(14)21)25-13-20(24)23-22-12-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyKXMMGKYCCGJKTF-UHFFFAOYSA-N
XLogP4.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190730
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide
CID 9316730
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136661400
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9316755
N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
CID 927198
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135643954
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 39819572
2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750
2-(4-chloro-3-methylphenoxy)-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135607176
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 39819272
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 135643956

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide (CID 5229956) is 2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide is Cc1cc(OCC(=O)NN=Cc2cccc3ccccc23)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The InChIKey is KXMMGKYCCGJKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-14-11-17(9-10-19(14)21)25-13-20(24)23-22-12-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide has a molecular weight of 352.82 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide is sourced from PubChem (CID 5229956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).