N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide

C23H21BrN2O3 — CID 28638819

IUPACN-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21BrN2O3/c1-16-12-19(24)10-11-21(16)29-15-22(27)26-20-9-5-8-18(13-20)23(28)25-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyZXNDCVDGDYSHMK-UHFFFAOYSA-N
MW453.34 g/mol
LogP4.71
Rot. Bonds7

About N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide

N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide (PubChem CID 28638819) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
PubChem CID28638819
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC NameN-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21BrN2O3/c1-16-12-19(24)10-11-21(16)29-15-22(27)26-20-9-5-8-18(13-20)23(28)25-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyZXNDCVDGDYSHMK-UHFFFAOYSA-N
XLogP4.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 28638799
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
CID 17086029
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-(benzylcarbamothioyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 5117432
N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17233521
N-benzyl-3-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28638866
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811
3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
CID 46475227

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide (CID 28638819) is N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide is Cc1cc(Br)ccc1OCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide?
The InChIKey is ZXNDCVDGDYSHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-16-12-19(24)10-11-21(16)29-15-22(27)26-20-9-5-8-18(13-20)23(28)25-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide?
N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide has a molecular weight of 453.34 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 28638819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).