[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

C20H21ClN2O5 — CID 9230877

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C20H21ClN2O5/c1-3-22-20(26)14-5-4-6-16(10-14)23-18(24)11-28-19(25)12-27-17-8-7-15(21)9-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyBILGANIDZURQKS-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.96
Rot. Bonds8

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 9230877) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID9230877
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C20H21ClN2O5/c1-3-22-20(26)14-5-4-6-16(10-14)23-18(24)11-28-19(25)12-27-17-8-7-15(21)9-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyBILGANIDZURQKS-UHFFFAOYSA-N
XLogP2.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335752
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 8806398
N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 28638799
ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate
CID 39269639
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162275
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetate
CID 9348165
3-[[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 26051759
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779559
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847291

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (CID 9230877) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is CCNC(=O)c1cccc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is BILGANIDZURQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-3-22-20(26)14-5-4-6-16(10-14)23-18(24)11-28-19(25)12-27-17-8-7-15(21)9-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 404.85 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 9230877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).