methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate

C20H16Cl2N2O3 — CID 71283497

IUPACmethyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(NCC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2c1
InChIInChI=1S/C20H16Cl2N2O3/c1-27-20(26)13-7-12-8-14(21)10-16(22)19(12)17(9-13)23-11-18(25)24-15-5-3-2-4-6-15/h2-10,23H,11H2,1H3,(H,24,25)
InChIKeyHYVCIDKODUVCGJ-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.98
Rot. Bonds5

About methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate

methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate (PubChem CID 71283497) has the molecular formula C20H16Cl2N2O3 and a molecular weight of 403.27 g/mol. Its IUPAC name is methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate
PubChem CID71283497
Molecular FormulaC20H16Cl2N2O3
Molecular Weight403.27 g/mol
Exact Mass402.05
IUPAC Namemethyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(NCC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2c1
InChIInChI=1S/C20H16Cl2N2O3/c1-27-20(26)13-7-12-8-14(21)10-16(22)19(12)17(9-13)23-11-18(25)24-15-5-3-2-4-6-15/h2-10,23H,11H2,1H3,(H,24,25)
InChIKeyHYVCIDKODUVCGJ-UHFFFAOYSA-N
XLogP4.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5,7-dichloro-4-[[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]amino]naphthalene-2-carboxylate
CID 71283621
methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate
CID 71283288
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
2-(2-chloro-5-methoxyanilino)-N-phenylacetamide
CID 47408313
methyl 5,7-dichloro-4-[2-[3-(hydroxymethyl)anilino]-2-oxoethoxy]naphthalene-2-carboxylate
CID 67479446
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
methyl 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 37472030
methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate
CID 109007616

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate?
The IUPAC name of methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate (CID 71283497) is methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate is COC(=O)c1cc(NCC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2c1.
What is the InChIKey of methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate?
The InChIKey is HYVCIDKODUVCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3/c1-27-20(26)13-7-12-8-14(21)10-16(22)19(12)17(9-13)23-11-18(25)24-15-5-3-2-4-6-15/h2-10,23H,11H2,1H3,(H,24,25).
What are the key properties of methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate?
methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate has a molecular weight of 403.27 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-anilino-2-oxoethyl)amino]-5,7-dichloronaphthalene-2-carboxylate is sourced from PubChem (CID 71283497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).