propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate

C20H20ClNO4 — CID 26716884

IUPACpropan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClNO4/c1-13(2)26-20(25)15-5-9-17(10-6-15)22-19(24)12-11-18(23)14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyAAEOUHXSKXENRC-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.51
Rot. Bonds7

About propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate

propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate (PubChem CID 26716884) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
PubChem CID26716884
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Namepropan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClNO4/c1-13(2)26-20(25)15-5-9-17(10-6-15)22-19(24)12-11-18(23)14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyAAEOUHXSKXENRC-UHFFFAOYSA-N
XLogP4.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate with MolForge

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Related Compounds

propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836
butyl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 108808160
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-[[4-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 40736197
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750903
propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220464
4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate
CID 6974741
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate
CID 7797215
propan-2-yl 4-[[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 17246108
methyl 4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzoate
CID 1347180
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate (CID 26716884) is propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
The InChIKey is AAEOUHXSKXENRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-13(2)26-20(25)15-5-9-17(10-6-15)22-19(24)12-11-18(23)14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,24).
What are the key properties of propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate has a molecular weight of 373.84 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate is sourced from PubChem (CID 26716884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).