N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide

C20H16ClNO3 — CID 7763455

IUPACN-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESO=Cc1c(OCC(=O)NCc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C20H16ClNO3/c21-16-8-5-14(6-9-16)11-22-20(24)13-25-19-10-7-15-3-1-2-4-17(15)18(19)12-23/h1-10,12H,11,13H2,(H,22,24)
InChIKeyLSAFLWLDGVJXBE-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.00
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide

N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide (PubChem CID 7763455) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
PubChem CID7763455
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESO=Cc1c(OCC(=O)NCc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C20H16ClNO3/c21-16-8-5-14(6-9-16)11-22-20(24)13-25-19-10-7-15-3-1-2-4-17(15)18(19)12-23/h1-10,12H,11,13H2,(H,22,24)
InChIKeyLSAFLWLDGVJXBE-UHFFFAOYSA-N
XLogP4.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763182
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763235
N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
CID 60792895
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608442

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide (CID 7763455) is N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide is O=Cc1c(OCC(=O)NCc2ccc(Cl)cc2)ccc2ccccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The InChIKey is LSAFLWLDGVJXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c21-16-8-5-14(6-9-16)11-22-20(24)13-25-19-10-7-15-3-1-2-4-17(15)18(19)12-23/h1-10,12H,11,13H2,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide has a molecular weight of 353.81 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 7763455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).