[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate

C24H19Cl2NO4 — CID 2901178

IUPAC[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)C(C)OC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H19Cl2NO4/c1-14-3-5-16(6-4-14)22(28)15(2)31-24(30)17-7-10-19(11-8-17)27-23(29)20-12-9-18(25)13-21(20)26/h3-13,15H,1-2H3,(H,27,29)
InChIKeyXYGOZNSJQZRVNL-UHFFFAOYSA-N
MW456.33 g/mol
LogP5.98
Rot. Bonds6

About [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate

[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate (PubChem CID 2901178) has the molecular formula C24H19Cl2NO4 and a molecular weight of 456.33 g/mol. Its IUPAC name is [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate
PubChem CID2901178
Molecular FormulaC24H19Cl2NO4
Molecular Weight456.33 g/mol
Exact Mass455.07
IUPAC Name[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)C(C)OC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H19Cl2NO4/c1-14-3-5-16(6-4-14)22(28)15(2)31-24(30)17-7-10-19(11-8-17)27-23(29)20-12-9-18(25)13-21(20)26/h3-13,15H,1-2H3,(H,27,29)
InChIKeyXYGOZNSJQZRVNL-UHFFFAOYSA-N
XLogP5.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate with MolForge

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Related Compounds

[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate
CID 1217838
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 882656
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 3692292
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508224
(2S,3R)-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoic acid
CID 126387990
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7862951
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2-phenylacetyl)amino]benzoate
CID 1342655

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate?
The IUPAC name of [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate (CID 2901178) is [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate.
What is the SMILES notation for [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate?
The canonical SMILES for [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate is Cc1ccc(C(=O)C(C)OC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate?
The InChIKey is XYGOZNSJQZRVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO4/c1-14-3-5-16(6-4-14)22(28)15(2)31-24(30)17-7-10-19(11-8-17)27-23(29)20-12-9-18(25)13-21(20)26/h3-13,15H,1-2H3,(H,27,29).
What are the key properties of [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate?
[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate has a molecular weight of 456.33 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate is sourced from PubChem (CID 2901178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).