propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate

C25H24ClNO3 — CID 7312050

IUPACpropyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate
SMILESCCCOC(=O)c1ccc(Cl)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H24ClNO3/c1-2-15-30-25(29)20-13-14-22(26)23(16-20)27-24(28)17-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,16,21H,2,15,17H2,1H3,(H,27,28)
InChIKeyMPWCNKHMMFCOCZ-UHFFFAOYSA-N
MW421.92 g/mol
LogP6.07
Rot. Bonds8

About propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate

propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate (PubChem CID 7312050) has the molecular formula C25H24ClNO3 and a molecular weight of 421.92 g/mol. Its IUPAC name is propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate
PubChem CID7312050
Molecular FormulaC25H24ClNO3
Molecular Weight421.92 g/mol
Exact Mass421.14
IUPAC Namepropyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate
SMILESCCCOC(=O)c1ccc(Cl)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H24ClNO3/c1-2-15-30-25(29)20-13-14-22(26)23(16-20)27-24(28)17-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,16,21H,2,15,17H2,1H3,(H,27,28)
InChIKeyMPWCNKHMMFCOCZ-UHFFFAOYSA-N
XLogP6.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.92
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 11839612
3-methylbutyl 4-chloro-3-[(3-oxo-3-phenylpropanoyl)amino]benzoate
CID 5258804
methyl 4-chloro-3-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424464
4-chloro-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018149
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
5-(2-chloro-5-methoxycarbonylanilino)-3-methyl-5-oxopentanoic acid
CID 62965555
N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide
CID 28866941
ethyl 4-chloro-3-[[3-(2-chloro-5-ethoxycarbonylanilino)-2-methyl-3-oxopropanoyl]amino]benzoate
CID 20719550
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
methyl 3-[[2-(2-aminoethoxy)acetyl]amino]-4-chlorobenzoate
CID 79473643
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110

Frequently Asked Questions

What is the IUPAC name of propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate?
The IUPAC name of propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate (CID 7312050) is propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate.
What is the SMILES notation for propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate?
The canonical SMILES for propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate is CCCOC(=O)c1ccc(Cl)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate?
The InChIKey is MPWCNKHMMFCOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO3/c1-2-15-30-25(29)20-13-14-22(26)23(16-20)27-24(28)17-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,16,21H,2,15,17H2,1H3,(H,27,28).
What are the key properties of propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate?
propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate has a molecular weight of 421.92 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate is sourced from PubChem (CID 7312050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).