4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide

C18H19BrN2O4 — CID 9102895

IUPAC4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H19BrN2O4/c1-3-25-15-9-8-14(10-16(15)24-2)21-17(22)11-20-18(23)12-4-6-13(19)7-5-12/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOBEVTGSLHPBSLQ-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.22
Rot. Bonds7

About 4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide

4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 9102895) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID9102895
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H19BrN2O4/c1-3-25-15-9-8-14(10-16(15)24-2)21-17(22)11-20-18(23)12-4-6-13(19)7-5-12/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOBEVTGSLHPBSLQ-UHFFFAOYSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
CID 9080322
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 8014586
2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102401
4-bromo-N-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 55659925
5-bromo-N-(4-ethoxy-3-methoxyphenyl)pyridine-2-carboxamide
CID 62952861
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 46789730
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide (CID 9102895) is 4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide is CCOc1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1OC.
What is the InChIKey of 4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is OBEVTGSLHPBSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-3-25-15-9-8-14(10-16(15)24-2)21-17(22)11-20-18(23)12-4-6-13(19)7-5-12/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide?
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 407.26 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9102895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).