5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid

C13H15BrN2O5 — CID 62074886

IUPAC5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
SMILESCCOC(=O)CN(C)C(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C13H15BrN2O5/c1-3-21-11(17)7-16(2)13(20)15-10-5-4-8(14)6-9(10)12(18)19/h4-6H,3,7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyGWZAHEIUTGPLSM-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.17
Rot. Bonds5

About 5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid

5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid (PubChem CID 62074886) has the molecular formula C13H15BrN2O5 and a molecular weight of 359.18 g/mol. Its IUPAC name is 5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
PubChem CID62074886
Molecular FormulaC13H15BrN2O5
Molecular Weight359.18 g/mol
Exact Mass358.02
IUPAC Name5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
SMILESCCOC(=O)CN(C)C(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C13H15BrN2O5/c1-3-21-11(17)7-16(2)13(20)15-10-5-4-8(14)6-9(10)12(18)19/h4-6H,3,7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyGWZAHEIUTGPLSM-UHFFFAOYSA-N
XLogP2.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]benzoic acid
CID 62073672
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5-bromo-2-[[ethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62072477
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
5-bromo-2-[[butan-2-yl(ethyl)carbamoyl]amino]benzoic acid
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5-bromo-2-(ethylamino)benzoic acid
CID 12925315
5-bromo-2-(4-ethoxy-4-oxobutanoyl)oxybenzoic acid
CID 54854349
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
CID 47406124
5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid
CID 55031490
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
5-bromo-2-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62073341
ethyl 2-[(4-fluorophenyl)carbamoyl-methylamino]acetate
CID 47981222

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid?
The IUPAC name of 5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid (CID 62074886) is 5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid is CCOC(=O)CN(C)C(=O)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid?
The InChIKey is GWZAHEIUTGPLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O5/c1-3-21-11(17)7-16(2)13(20)15-10-5-4-8(14)6-9(10)12(18)19/h4-6H,3,7H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid?
5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid has a molecular weight of 359.18 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid is sourced from PubChem (CID 62074886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).