methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate

C16H13Cl2NO3 — CID 35248663

IUPACmethyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(C)c1
InChIInChI=1S/C16H13Cl2NO3/c1-9-5-10(16(21)22-2)3-4-14(9)19-15(20)11-6-12(17)8-13(18)7-11/h3-8H,1-2H3,(H,19,20)
InChIKeyQJIUAQBBPWZLJK-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.34
Rot. Bonds3

About methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate

methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate (PubChem CID 35248663) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
PubChem CID35248663
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Namemethyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(C)c1
InChIInChI=1S/C16H13Cl2NO3/c1-9-5-10(16(21)22-2)3-4-14(9)19-15(20)11-6-12(17)8-13(18)7-11/h3-8H,1-2H3,(H,19,20)
InChIKeyQJIUAQBBPWZLJK-UHFFFAOYSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylbenzoate
CID 46530264
methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate
CID 63859252
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
CID 62954229
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
methyl 4-chloro-3-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108987118
methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate
CID 61260356
methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
methyl 4-(3-bromopropanoylamino)-3-methylbenzoate
CID 13400011
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate (CID 35248663) is methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(C)c1.
What is the InChIKey of methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate?
The InChIKey is QJIUAQBBPWZLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-9-5-10(16(21)22-2)3-4-14(9)19-15(20)11-6-12(17)8-13(18)7-11/h3-8H,1-2H3,(H,19,20).
What are the key properties of methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate?
methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate has a molecular weight of 338.19 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate is sourced from PubChem (CID 35248663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).