N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide

C23H19Cl3N2O3 — CID 17117574

IUPACN-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1Cl
InChIInChI=1S/C23H19Cl3N2O3/c1-13-19(24)14(2)21(26)22(20(13)25)31-12-18(29)27-16-8-10-17(11-9-16)28-23(30)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHSDVHVAFGBAATB-UHFFFAOYSA-N
MW477.78 g/mol
LogP6.53
Rot. Bonds6

About N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide

N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 17117574) has the molecular formula C23H19Cl3N2O3 and a molecular weight of 477.78 g/mol. Its IUPAC name is N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID17117574
Molecular FormulaC23H19Cl3N2O3
Molecular Weight477.78 g/mol
Exact Mass476.05
IUPAC NameN-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1Cl
InChIInChI=1S/C23H19Cl3N2O3/c1-13-19(24)14(2)21(26)22(20(13)25)31-12-18(29)27-16-8-10-17(11-9-16)28-23(30)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHSDVHVAFGBAATB-UHFFFAOYSA-N
XLogP6.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.78
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4899815
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17319465
dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17117499
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4665308
N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 1020136
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117072
2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22778548
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide (CID 17117574) is N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide is Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1Cl.
What is the InChIKey of N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is HSDVHVAFGBAATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3N2O3/c1-13-19(24)14(2)21(26)22(20(13)25)31-12-18(29)27-16-8-10-17(11-9-16)28-23(30)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 477.78 g/mol, XLogP of 6.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 17117574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).