methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate

C18H18BrNO4 — CID 17341933

IUPACmethyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate
SMILESCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)OC)c1C
InChIInChI=1S/C18H18BrNO4/c1-4-24-16-9-8-12(19)10-14(16)17(21)20-15-7-5-6-13(11(15)2)18(22)23-3/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyDLNGBZSSJWEIAJ-UHFFFAOYSA-N
MW392.25 g/mol
LogP4.20
Rot. Bonds5

About methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate

methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate (PubChem CID 17341933) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate
PubChem CID17341933
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Namemethyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate
SMILESCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)OC)c1C
InChIInChI=1S/C18H18BrNO4/c1-4-24-16-9-8-12(19)10-14(16)17(21)20-15-7-5-6-13(11(15)2)18(22)23-3/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyDLNGBZSSJWEIAJ-UHFFFAOYSA-N
XLogP4.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2-methoxyethoxy)-N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 46760627
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
CID 17350009
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
CID 46760619
5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098043
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17353033
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
5-bromo-2-ethoxy-N-[[2-(methylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17354160

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate (CID 17341933) is methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate is CCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)OC)c1C.
What is the InChIKey of methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate?
The InChIKey is DLNGBZSSJWEIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-4-24-16-9-8-12(19)10-14(16)17(21)20-15-7-5-6-13(11(15)2)18(22)23-3/h5-10H,4H2,1-3H3,(H,20,21).
What are the key properties of methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate?
methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate has a molecular weight of 392.25 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate is sourced from PubChem (CID 17341933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).