N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide

C24H23BrN2O5 — CID 19180524

IUPACN-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C24H23BrN2O5/c1-15-11-17(9-10-18(15)25)32-14-23(28)26-19-12-22(31-3)20(13-21(19)30-2)27-24(29)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyPGXQKMWCEIHRER-UHFFFAOYSA-N
MW499.36 g/mol
LogP5.04
Rot. Bonds8

About N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide

N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 19180524) has the molecular formula C24H23BrN2O5 and a molecular weight of 499.36 g/mol. Its IUPAC name is N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
PubChem CID19180524
Molecular FormulaC24H23BrN2O5
Molecular Weight499.36 g/mol
Exact Mass498.08
IUPAC NameN-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C24H23BrN2O5/c1-15-11-17(9-10-18(15)25)32-14-23(28)26-19-12-22(31-3)20(13-21(19)30-2)27-24(29)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyPGXQKMWCEIHRER-UHFFFAOYSA-N
XLogP5.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.36
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180542
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180537
N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide
CID 19180504
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130878
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
N-[4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 19203095
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 2604010
N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 9252851
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide (CID 19180524) is N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccc(Br)c(C)c1.
What is the InChIKey of N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is PGXQKMWCEIHRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O5/c1-15-11-17(9-10-18(15)25)32-14-23(28)26-19-12-22(31-3)20(13-21(19)30-2)27-24(29)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 499.36 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 19180524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).