[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate

C24H21BrN2O5 — CID 55318570

IUPAC[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C24H21BrN2O5/c1-2-31-21-13-11-20(12-14-21)27-23(29)16-5-9-19(10-6-16)26-22(28)15-32-24(30)17-3-7-18(25)8-4-17/h3-14H,2,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyBUMAFYMCAXZPJK-UHFFFAOYSA-N
MW497.35 g/mol
LogP4.90
Rot. Bonds8

About [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate

[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate (PubChem CID 55318570) has the molecular formula C24H21BrN2O5 and a molecular weight of 497.35 g/mol. Its IUPAC name is [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate.

Molecular Properties

Compound Name[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
PubChem CID55318570
Molecular FormulaC24H21BrN2O5
Molecular Weight497.35 g/mol
Exact Mass496.06
IUPAC Name[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C24H21BrN2O5/c1-2-31-21-13-11-20(12-14-21)27-23(29)16-5-9-19(10-6-16)26-22(28)15-32-24(30)17-3-7-18(25)8-4-17/h3-14H,2,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyBUMAFYMCAXZPJK-UHFFFAOYSA-N
XLogP4.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.35
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782334
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 27118112
[2-[(4-bromophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 71820592
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide
CID 156704858

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate?
The IUPAC name of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate (CID 55318570) is [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate.
What is the SMILES notation for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate?
The canonical SMILES for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate is CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate?
The InChIKey is BUMAFYMCAXZPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O5/c1-2-31-21-13-11-20(12-14-21)27-23(29)16-5-9-19(10-6-16)26-22(28)15-32-24(30)17-3-7-18(25)8-4-17/h3-14H,2,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate?
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate has a molecular weight of 497.35 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate is sourced from PubChem (CID 55318570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).