2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid

C20H16ClNO3 — CID 126209756

IUPAC2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid
SMILESCc1ccc(Cl)cc1/N=C/c1c(OCC(=O)O)ccc2ccccc12
InChIInChI=1S/C20H16ClNO3/c1-13-6-8-15(21)10-18(13)22-11-17-16-5-3-2-4-14(16)7-9-19(17)25-12-20(23)24/h2-11H,12H2,1H3,(H,23,24)/b22-11+
InChIKeyYRKZKEZIQXITCC-SSDVNMTOSA-N
MW353.81 g/mol
LogP5.02
Rot. Bonds5

About 2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid

2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid (PubChem CID 126209756) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid
PubChem CID126209756
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid
SMILESCc1ccc(Cl)cc1/N=C/c1c(OCC(=O)O)ccc2ccccc12
InChIInChI=1S/C20H16ClNO3/c1-13-6-8-15(21)10-18(13)22-11-17-16-5-3-2-4-14(16)7-9-19(17)25-12-20(23)24/h2-11H,12H2,1H3,(H,23,24)/b22-11+
InChIKeyYRKZKEZIQXITCC-SSDVNMTOSA-N
XLogP5.02
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.81
LogP ≤ 55.02
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-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide
CID 126215966
N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126223343
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135837461
2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215405
[1-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 6060146
[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3950984
[1-[[4-[4-[[2-(2,4-dichlorobenzoyl)oxynaphthalen-1-yl]methylideneamino]-2-methylphenyl]-3-methylphenyl]iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 171980369
N-(3-chloro-4-methylphenyl)-2-[1-[(4-ethylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126217069
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
N-(5-chloro-2-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126217896
4-(4-chloro-2-methylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]butanamide
CID 4623912

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid (CID 126209756) is 2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid is Cc1ccc(Cl)cc1/N=C/c1c(OCC(=O)O)ccc2ccccc12.
What is the InChIKey of 2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid?
The InChIKey is YRKZKEZIQXITCC-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-13-6-8-15(21)10-18(13)22-11-17-16-5-3-2-4-14(16)7-9-19(17)25-12-20(23)24/h2-11H,12H2,1H3,(H,23,24)/b22-11+.
What are the key properties of 2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid?
2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid has a molecular weight of 353.81 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 126209756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).