ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate

C17H16BrNO4 — CID 110428281

IUPACethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C17H16BrNO4/c1-3-23-17(21)12-6-4-5-7-14(12)19-16(20)13-10-11(18)8-9-15(13)22-2/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyZYTFSZLGRGMMAS-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.89
Rot. Bonds5

About ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate

ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate (PubChem CID 110428281) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
PubChem CID110428281
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Nameethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C17H16BrNO4/c1-3-23-17(21)12-6-4-5-7-14(12)19-16(20)13-10-11(18)8-9-15(13)22-2/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyZYTFSZLGRGMMAS-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17094295
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate
CID 17341933
ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29139681
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate
CID 110428318
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate (CID 110428281) is ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OC.
What is the InChIKey of ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate?
The InChIKey is ZYTFSZLGRGMMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-3-23-17(21)12-6-4-5-7-14(12)19-16(20)13-10-11(18)8-9-15(13)22-2/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate?
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate has a molecular weight of 378.22 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 110428281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).