4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide

C18H19BrN2O4 — CID 33108134

IUPAC4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(OC)c(CNC(=O)CNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O4/c1-24-15-7-8-16(25-2)13(9-15)10-20-17(22)11-21-18(23)12-3-5-14(19)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCDNFQGPQFLYNGW-UHFFFAOYSA-N
MW407.26 g/mol
LogP2.51
Rot. Bonds7

About 4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide

4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 33108134) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID33108134
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(OC)c(CNC(=O)CNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O4/c1-24-15-7-8-16(25-2)13(9-15)10-20-17(22)11-21-18(23)12-3-5-14(19)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCDNFQGPQFLYNGW-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide 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

1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
CID 78805092
4-tert-butyl-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 110601136
4-bromo-N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 40659095
2-(2,5-dimethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78823018
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954388
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 33101662
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 28560333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide (CID 33108134) is 4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide is COc1ccc(OC)c(CNC(=O)CNC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is CDNFQGPQFLYNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-24-15-7-8-16(25-2)13(9-15)10-20-17(22)11-21-18(23)12-3-5-14(19)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 407.26 g/mol, XLogP of 2.51, 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-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 33108134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).