3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide

C27H23ClN2O4 — CID 2377871

IUPAC3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C27H23ClN2O4/c1-17-11-12-24(33-2)23(13-17)30-27(32)20-14-18-7-3-4-8-19(18)15-25(20)34-16-26(31)29-22-10-6-5-9-21(22)28/h3-15H,16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyJEZSVZSTAIYKPN-UHFFFAOYSA-N
MW474.94 g/mol
LogP6.08
Rot. Bonds7

About 3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide

3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide (PubChem CID 2377871) has the molecular formula C27H23ClN2O4 and a molecular weight of 474.94 g/mol. Its IUPAC name is 3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
PubChem CID2377871
Molecular FormulaC27H23ClN2O4
Molecular Weight474.94 g/mol
Exact Mass474.13
IUPAC Name3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C27H23ClN2O4/c1-17-11-12-24(33-2)23(13-17)30-27(32)20-14-18-7-3-4-8-19(18)15-25(20)34-16-26(31)29-22-10-6-5-9-21(22)28/h3-15H,16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyJEZSVZSTAIYKPN-UHFFFAOYSA-N
XLogP6.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.94
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide
CID 30834047
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 26217134
2-N-(2-chlorophenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100814
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
2-(2-chloro-5-methylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 7778322
3-[2-(tert-butylamino)-2-oxoethoxy]-N-(4-chloro-2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 1043828
3-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 112788524
N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325346
N-(2-chloro-5-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 112811882
N-(2-methoxy-5-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275215
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
CID 9098428
2-(3,5-dimethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7707192

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide (CID 2377871) is 3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is JEZSVZSTAIYKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O4/c1-17-11-12-24(33-2)23(13-17)30-27(32)20-14-18-7-3-4-8-19(18)15-25(20)34-16-26(31)29-22-10-6-5-9-21(22)28/h3-15H,16H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide?
3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 474.94 g/mol, XLogP of 6.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 2377871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).