3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide

C24H23ClN2O3 — CID 17227717

IUPAC3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCc1cc(OCC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc(C)c1Cl
InChIInChI=1S/C24H23ClN2O3/c1-16-12-21(13-17(2)23(16)25)30-15-22(28)26-19-9-7-8-18(14-19)24(29)27(3)20-10-5-4-6-11-20/h4-14H,15H2,1-3H3,(H,26,28)
InChIKeyZVQXWQSSTAZNBP-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.25
Rot. Bonds6

About 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide

3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 17227717) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID17227717
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCc1cc(OCC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc(C)c1Cl
InChIInChI=1S/C24H23ClN2O3/c1-16-12-21(13-17(2)23(16)25)30-15-22(28)26-19-9-7-8-18(14-19)24(29)27(3)20-10-5-4-6-11-20/h4-14H,15H2,1-3H3,(H,26,28)
InChIKeyZVQXWQSSTAZNBP-UHFFFAOYSA-N
XLogP5.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160030
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922706
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
N,4-dimethyl-N-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 23905666
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 26168331
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide (CID 17227717) is 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide is Cc1cc(OCC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc(C)c1Cl.
What is the InChIKey of 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is ZVQXWQSSTAZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-16-12-21(13-17(2)23(16)25)30-15-22(28)26-19-9-7-8-18(14-19)24(29)27(3)20-10-5-4-6-11-20/h4-14H,15H2,1-3H3,(H,26,28).
What are the key properties of 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 422.91 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 17227717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).