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

C24H23ClN2O3 — CID 43887894

IUPAC2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
SMILESCc1ccccc1CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C24H23ClN2O3/c1-16-7-3-4-8-18(16)15-23(28)26-19-11-13-20(14-12-19)27-24(29)17(2)30-22-10-6-5-9-21(22)25/h3-14,17H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyXQHCVNDWNNEMBD-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.24
Rot. Bonds7

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

2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide (PubChem CID 43887894) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
PubChem CID43887894
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
SMILESCc1ccccc1CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C24H23ClN2O3/c1-16-7-3-4-8-18(16)15-23(28)26-19-11-13-20(14-12-19)27-24(29)17(2)30-22-10-6-5-9-21(22)25/h3-14,17H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyXQHCVNDWNNEMBD-UHFFFAOYSA-N
XLogP5.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887713
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide
CID 54780661
N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide
CID 55952611
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide
CID 43888076
2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 42953030
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide (CID 43887894) is 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide is Cc1ccccc1CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide?
The InChIKey is XQHCVNDWNNEMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-16-7-3-4-8-18(16)15-23(28)26-19-11-13-20(14-12-19)27-24(29)17(2)30-22-10-6-5-9-21(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-methylphenyl)acetyl]amino]phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide has a molecular weight of 422.91 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 43887894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).