2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide

C20H23BrN2O4 — CID 2475779

IUPAC2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2Br)cc1OCC
InChIInChI=1S/C20H23BrN2O4/c1-4-26-17-11-10-14(12-18(17)27-5-2)22-19(24)13-23(3)20(25)15-8-6-7-9-16(15)21/h6-12H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyWBVMTNLORMWCSC-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.96
Rot. Bonds8

About 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide

2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 2475779) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID2475779
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2Br)cc1OCC
InChIInChI=1S/C20H23BrN2O4/c1-4-26-17-11-10-14(12-18(17)27-5-2)22-19(24)13-23(3)20(25)15-8-6-7-9-16(15)21/h6-12H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyWBVMTNLORMWCSC-UHFFFAOYSA-N
XLogP3.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 43010376
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 31186182
3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 31186118
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 31185812
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 24981774
4-cyano-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 8501398
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 46628154
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 32755216
N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39757435

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide (CID 2475779) is 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2Br)cc1OCC.
What is the InChIKey of 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is WBVMTNLORMWCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-4-26-17-11-10-14(12-18(17)27-5-2)22-19(24)13-23(3)20(25)15-8-6-7-9-16(15)21/h6-12H,4-5,13H2,1-3H3,(H,22,24).
What are the key properties of 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 435.32 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 2475779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).