N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide

C24H20ClNO4 — CID 4884528

IUPACN-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H20ClNO4/c1-15(27)17-5-11-21(12-6-17)26-24(29)16(2)30-22-13-7-19(8-14-22)23(28)18-3-9-20(25)10-4-18/h3-14,16H,1-2H3,(H,26,29)
InChIKeyTVXKJDJQMNTTNG-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.18
Rot. Bonds7

About N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide

N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide (PubChem CID 4884528) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
PubChem CID4884528
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC NameN-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H20ClNO4/c1-15(27)17-5-11-21(12-6-17)26-24(29)16(2)30-22-13-7-19(8-14-22)23(28)18-3-9-20(25)10-4-18/h3-14,16H,1-2H3,(H,26,29)
InChIKeyTVXKJDJQMNTTNG-UHFFFAOYSA-N
XLogP5.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
CID 1222649
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide
CID 177371105

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide (CID 4884528) is N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide is CC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
The InChIKey is TVXKJDJQMNTTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO4/c1-15(27)17-5-11-21(12-6-17)26-24(29)16(2)30-22-13-7-19(8-14-22)23(28)18-3-9-20(25)10-4-18/h3-14,16H,1-2H3,(H,26,29).
What are the key properties of N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide has a molecular weight of 421.88 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide is sourced from PubChem (CID 4884528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).