[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate

C24H20ClNO4 — CID 1217838

IUPAC[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H20ClNO4/c1-15-3-5-17(6-4-15)22(27)16(2)30-24(29)19-9-13-21(14-10-19)26-23(28)18-7-11-20(25)12-8-18/h3-14,16H,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyXTFOULRTMJTOAR-INIZCTEOSA-N
MW421.88 g/mol
LogP5.33
Rot. Bonds6

About [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate

[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate (PubChem CID 1217838) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate
PubChem CID1217838
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Name[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H20ClNO4/c1-15-3-5-17(6-4-15)22(27)16(2)30-24(29)19-9-13-21(14-10-19)26-23(28)18-7-11-20(25)12-8-18/h3-14,16H,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyXTFOULRTMJTOAR-INIZCTEOSA-N
XLogP5.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate
CID 2901178
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 882656
[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126187705
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126177869
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2-phenylacetyl)amino]benzoate
CID 1342655
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878798
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889661
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 40728613
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-[[4-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 40736197
[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126189341
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-aminobenzoate
CID 51980309

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate?
The IUPAC name of [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate (CID 1217838) is [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate is Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate?
The InChIKey is XTFOULRTMJTOAR-INIZCTEOSA-N. The full InChI is InChI=1S/C24H20ClNO4/c1-15-3-5-17(6-4-15)22(27)16(2)30-24(29)19-9-13-21(14-10-19)26-23(28)18-7-11-20(25)12-8-18/h3-14,16H,1-2H3,(H,26,28)/t16-/m0/s1.
What are the key properties of [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate?
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate has a molecular weight of 421.88 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 1217838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).