N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide

C25H25BrN2O5 — CID 19180537

IUPACN-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C25H25BrN2O5/c1-15-10-18(26)11-16(2)24(15)33-14-23(29)27-19-12-22(32-4)20(13-21(19)31-3)28-25(30)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyVAWSEFDKLZKEEH-UHFFFAOYSA-N
MW513.39 g/mol
LogP5.35
Rot. Bonds8

About N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide

N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 19180537) has the molecular formula C25H25BrN2O5 and a molecular weight of 513.39 g/mol. Its IUPAC name is N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
PubChem CID19180537
Molecular FormulaC25H25BrN2O5
Molecular Weight513.39 g/mol
Exact Mass512.09
IUPAC NameN-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C25H25BrN2O5/c1-15-10-18(26)11-16(2)24(15)33-14-23(29)27-19-12-22(32-4)20(13-21(19)31-3)28-25(30)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyVAWSEFDKLZKEEH-UHFFFAOYSA-N
XLogP5.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.39
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180524
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
N-[4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180542
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide
CID 19180504
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
CID 110792956
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131419
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide (CID 19180537) is N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1c(C)cc(Br)cc1C.
What is the InChIKey of N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is VAWSEFDKLZKEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O5/c1-15-10-18(26)11-16(2)24(15)33-14-23(29)27-19-12-22(32-4)20(13-21(19)31-3)28-25(30)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 513.39 g/mol, XLogP of 5.35, 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-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 19180537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).