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

C24H23ClN2O4 — CID 43887713

IUPAC2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C24H23ClN2O4/c1-16-7-3-5-9-21(16)30-15-23(28)26-18-11-13-19(14-12-18)27-24(29)17(2)31-22-10-6-4-8-20(22)25/h3-14,17H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyAZAGVFYRHMFDFL-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.07
Rot. Bonds8

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

2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 43887713) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
PubChem CID43887713
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC Name2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C24H23ClN2O4/c1-16-7-3-5-9-21(16)30-15-23(28)26-18-11-13-19(14-12-18)27-24(29)17(2)31-22-10-6-4-8-20(22)25/h3-14,17H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyAZAGVFYRHMFDFL-UHFFFAOYSA-N
XLogP5.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 43887894
2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887734
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-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 43912205
2-chloro-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 35767797
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
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
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
(2R)-N-(4-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837411

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide (CID 43887713) is 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide is Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is AZAGVFYRHMFDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-16-7-3-5-9-21(16)30-15-23(28)26-18-11-13-19(14-12-18)27-24(29)17(2)31-22-10-6-4-8-20(22)25/h3-14,17H,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 438.91 g/mol, XLogP of 5.07, 8 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-(2-methylphenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 43887713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).