methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate

C20H15Cl2NO3 — CID 71283579

IUPACmethyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(N(C)C(=O)c2ccccc2)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C20H15Cl2NO3/c1-23(19(24)12-6-4-3-5-7-12)17-9-8-14(20(25)26-2)15-10-13(21)11-16(22)18(15)17/h3-11H,1-2H3
InChIKeyQEBWPXJZTZLWOM-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.21
Rot. Bonds3

About methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate

methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate (PubChem CID 71283579) has the molecular formula C20H15Cl2NO3 and a molecular weight of 388.25 g/mol. Its IUPAC name is methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate
PubChem CID71283579
Molecular FormulaC20H15Cl2NO3
Molecular Weight388.25 g/mol
Exact Mass387.04
IUPAC Namemethyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(N(C)C(=O)c2ccccc2)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C20H15Cl2NO3/c1-23(19(24)12-6-4-3-5-7-12)17-9-8-14(20(25)26-2)15-10-13(21)11-16(22)18(15)17/h3-11H,1-2H3
InChIKeyQEBWPXJZTZLWOM-UHFFFAOYSA-N
XLogP5.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954
2-[(3-chlorobenzoyl)-methylamino]benzoic acid
CID 16771040
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
2,4-dichloro-N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17227923
2,4-dichloro-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17230375
methyl 4-[(4-chloroanilino)methyl]-2-[(3-chloro-1-benzothiophene-2-carbonyl)-methylamino]benzoate
CID 123736089
3,5-dichloro-N-methyl-N-phenylbenzamide;ethane
CID 156791859
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 6-[4-[benzoyl(methyl)amino]phenyl]-7-methoxy-1,3-benzodioxole-5-carboxylate
CID 166626862
methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate
CID 43423137
methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
CID 43623067
methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate
CID 171363187

Frequently Asked Questions

What is the IUPAC name of methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate?
The IUPAC name of methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate (CID 71283579) is methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate?
The canonical SMILES for methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate is COC(=O)c1ccc(N(C)C(=O)c2ccccc2)c2c(Cl)cc(Cl)cc12.
What is the InChIKey of methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate?
The InChIKey is QEBWPXJZTZLWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO3/c1-23(19(24)12-6-4-3-5-7-12)17-9-8-14(20(25)26-2)15-10-13(21)11-16(22)18(15)17/h3-11H,1-2H3.
What are the key properties of methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate?
methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate has a molecular weight of 388.25 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate is sourced from PubChem (CID 71283579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).