N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide

C26H21ClN2O2 — CID 126215966

IUPACN-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1Cl
InChIInChI=1S/C26H21ClN2O2/c1-18-11-13-21(15-24(18)27)29-26(30)17-31-25-14-12-19-7-5-6-10-22(19)23(25)16-28-20-8-3-2-4-9-20/h2-16H,17H2,1H3,(H,29,30)/b28-16+
InChIKeyHVOBKLSLVFFHTO-LQKURTRISA-N
MW428.92 g/mol
LogP6.57
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide

N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide (PubChem CID 126215966) has the molecular formula C26H21ClN2O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide
PubChem CID126215966
Molecular FormulaC26H21ClN2O2
Molecular Weight428.92 g/mol
Exact Mass428.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1Cl
InChIInChI=1S/C26H21ClN2O2/c1-18-11-13-21(15-24(18)27)29-26(30)17-31-25-14-12-19-7-5-6-10-22(19)23(25)16-28-20-8-3-2-4-9-20/h2-16H,17H2,1H3,(H,29,30)/b28-16+
InChIKeyHVOBKLSLVFFHTO-LQKURTRISA-N
XLogP6.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126214851
N-(3-chloro-4-methylphenyl)-2-[1-[(4-ethylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126217069
2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126219736
2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126218997
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901141
N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 126209044
2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid
CID 126209756
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126214545
N-(3-chloro-4-methylphenyl)-2-[4-[(2,3-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 126209773
2-[2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220488
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide (CID 126215966) is N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide is Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide?
The InChIKey is HVOBKLSLVFFHTO-LQKURTRISA-N. The full InChI is InChI=1S/C26H21ClN2O2/c1-18-11-13-21(15-24(18)27)29-26(30)17-31-25-14-12-19-7-5-6-10-22(19)23(25)16-28-20-8-3-2-4-9-20/h2-16H,17H2,1H3,(H,29,30)/b28-16+.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide?
N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide has a molecular weight of 428.92 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 126215966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).