propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate

C19H20ClNO3 — CID 19220847

IUPACpropyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO3/c1-2-13-24-19(23)15-6-10-17(11-7-15)21-18(22)12-5-14-3-8-16(20)9-4-14/h3-4,6-11H,2,5,12-13H2,1H3,(H,21,22)
InChIKeyFKMWTIVGTXHSFX-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.48
Rot. Bonds7

About propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate

propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate (PubChem CID 19220847) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
PubChem CID19220847
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Namepropyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO3/c1-2-13-24-19(23)15-6-10-17(11-7-15)21-18(22)12-5-14-3-8-16(20)9-4-14/h3-4,6-11H,2,5,12-13H2,1H3,(H,21,22)
InChIKeyFKMWTIVGTXHSFX-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732137
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904
butyl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 108808160
propyl 4-(5-chloropentanoylamino)benzoate
CID 43167866
2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate
CID 19172803
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 7927019
propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate
CID 23938061
2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 19171776
propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220462
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 2883144

Frequently Asked Questions

What is the IUPAC name of propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate?
The IUPAC name of propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate (CID 19220847) is propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate.
What is the SMILES notation for propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate?
The canonical SMILES for propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate is CCCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate?
The InChIKey is FKMWTIVGTXHSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-2-13-24-19(23)15-6-10-17(11-7-15)21-18(22)12-5-14-3-8-16(20)9-4-14/h3-4,6-11H,2,5,12-13H2,1H3,(H,21,22).
What are the key properties of propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate?
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate has a molecular weight of 345.83 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate is sourced from PubChem (CID 19220847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).