3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide

C24H23ClN2O3 — CID 17221916

IUPAC3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1)c1ccccc1
InChIInChI=1S/C24H23ClN2O3/c1-3-27(21-10-5-4-6-11-21)24(29)18-8-7-9-20(15-18)26-23(28)16-30-22-13-12-19(25)14-17(22)2/h4-15H,3,16H2,1-2H3,(H,26,28)
InChIKeyOQUAXEQHAYHDNT-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.33
Rot. Bonds7

About 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide

3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 17221916) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID17221916
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1)c1ccccc1
InChIInChI=1S/C24H23ClN2O3/c1-3-27(21-10-5-4-6-11-21)24(29)18-8-7-9-20(15-18)26-23(28)16-30-22-13-12-19(25)14-17(22)2/h4-15H,3,16H2,1-2H3,(H,26,28)
InChIKeyOQUAXEQHAYHDNT-UHFFFAOYSA-N
XLogP5.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162275
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17222016
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221948
N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 28638799
3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221937
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230877
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17227717
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186619
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide (CID 17221916) is 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is OQUAXEQHAYHDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-3-27(21-10-5-4-6-11-21)24(29)18-8-7-9-20(15-18)26-23(28)16-30-22-13-12-19(25)14-17(22)2/h4-15H,3,16H2,1-2H3,(H,26,28).
What are the key properties of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 422.91 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 17221916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).