2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide

C25H25ClN2O4 — CID 43912205

IUPAC2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCCc1cccc(OCC(=O)Nc2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)c1
InChIInChI=1S/C25H25ClN2O4/c1-3-18-7-6-8-21(15-18)31-16-24(29)27-19-11-13-20(14-12-19)28-25(30)17(2)32-23-10-5-4-9-22(23)26/h4-15,17H,3,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyDZMUDZMMQQLDAH-UHFFFAOYSA-N
MW452.94 g/mol
LogP5.33
Rot. Bonds9

About 2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide

2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 43912205) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide
PubChem CID43912205
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC Name2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCCc1cccc(OCC(=O)Nc2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)c1
InChIInChI=1S/C25H25ClN2O4/c1-3-18-7-6-8-21(15-18)31-16-24(29)27-19-11-13-20(14-12-19)28-25(30)17(2)32-23-10-5-4-9-22(23)26/h4-15,17H,3,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyDZMUDZMMQQLDAH-UHFFFAOYSA-N
XLogP5.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887713
2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide
CID 43887726
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887734
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide
CID 43888076

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide (CID 43912205) is 2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide is CCc1cccc(OCC(=O)Nc2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is DZMUDZMMQQLDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c1-3-18-7-6-8-21(15-18)31-16-24(29)27-19-11-13-20(14-12-19)28-25(30)17(2)32-23-10-5-4-9-22(23)26/h4-15,17H,3,16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 452.94 g/mol, XLogP of 5.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 43912205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).