3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide

C22H18Cl2N2O3 — CID 11839533

IUPAC3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-14-4-2-6-17(10-14)26-22(28)15-5-3-7-18(11-15)25-21(27)13-29-20-9-8-16(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyQEDVUOVQFIOMAF-UHFFFAOYSA-N
MW429.30 g/mol
LogP5.57
Rot. Bonds6

About 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide

3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 11839533) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID11839533
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC Name3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-14-4-2-6-17(10-14)26-22(28)15-5-3-7-18(11-15)25-21(27)13-29-20-9-8-16(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyQEDVUOVQFIOMAF-UHFFFAOYSA-N
XLogP5.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-hydroxyethyl)benzamide
CID 24811987
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
3-chloro-4-[2-(3-methylanilino)-2-oxoethoxy]benzoate
CID 8707262
2-(2-amino-4-chlorophenoxy)-N-(3-methylphenyl)acetamide
CID 24695483
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26164580
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8578482
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide (CID 11839533) is 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)c1.
What is the InChIKey of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is QEDVUOVQFIOMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c1-14-4-2-6-17(10-14)26-22(28)15-5-3-7-18(11-15)25-21(27)13-29-20-9-8-16(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 429.30 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 11839533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).