3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide

C24H24BrN3O4 — CID 55700666

IUPAC3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1OC
InChIInChI=1S/C24H24BrN3O4/c1-4-32-22-19(25)12-16(13-21(22)31-3)23(29)28-20-14-18(11-10-15(20)2)27-24(30)26-17-8-6-5-7-9-17/h5-14H,4H2,1-3H3,(H,28,29)(H2,26,27,30)
InChIKeyNZRKZVSRZUHODZ-UHFFFAOYSA-N
MW498.38 g/mol
LogP6.06
Rot. Bonds7

About 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide

3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide (PubChem CID 55700666) has the molecular formula C24H24BrN3O4 and a molecular weight of 498.38 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
PubChem CID55700666
Molecular FormulaC24H24BrN3O4
Molecular Weight498.38 g/mol
Exact Mass497.10
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1OC
InChIInChI=1S/C24H24BrN3O4/c1-4-32-22-19(25)12-16(13-21(22)31-3)23(29)28-20-14-18(11-10-15(20)2)27-24(30)26-17-8-6-5-7-9-17/h5-14H,4H2,1-3H3,(H,28,29)(H2,26,27,30)
InChIKeyNZRKZVSRZUHODZ-UHFFFAOYSA-N
XLogP6.06
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.38
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]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

3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide
CID 46466063
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
CID 3117342
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide
CID 55660483
3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55834113
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
3-bromo-4-ethoxy-5-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4800118
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide (CID 55700666) is 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide is CCOc1c(Br)cc(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide?
The InChIKey is NZRKZVSRZUHODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O4/c1-4-32-22-19(25)12-16(13-21(22)31-3)23(29)28-20-14-18(11-10-15(20)2)27-24(30)26-17-8-6-5-7-9-17/h5-14H,4H2,1-3H3,(H,28,29)(H2,26,27,30).
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide?
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide has a molecular weight of 498.38 g/mol, XLogP of 6.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 55700666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).