2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide

C18H19BrN2O3 — CID 9094853

IUPAC2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O3/c1-3-21(18(23)15-6-4-5-7-16(15)19)12-17(22)20-13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyAORNYSKSHIIDNG-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.56
Rot. Bonds6

About 2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide

2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 9094853) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID9094853
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O3/c1-3-21(18(23)15-6-4-5-7-16(15)19)12-17(22)20-13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyAORNYSKSHIIDNG-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 4786420
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide
CID 4882260
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 9094852
N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55383995
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 25161545

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide (CID 9094853) is 2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is AORNYSKSHIIDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-21(18(23)15-6-4-5-7-16(15)19)12-17(22)20-13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9094853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).