[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate

C26H24ClNO4 — CID 2334730

IUPAC[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate
SMILESC[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClNO4/c1-18(11-12-19-7-3-2-4-8-19)28-24(29)17-32-26(31)23-10-6-5-9-22(23)25(30)20-13-15-21(27)16-14-20/h2-10,13-16,18H,11-12,17H2,1H3,(H,28,29)/t18-/m0/s1
InChIKeyYTRWOLSIJYABRD-SFHVURJKSA-N
MW449.93 g/mol
LogP4.87
Rot. Bonds9

About [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate

[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate (PubChem CID 2334730) has the molecular formula C26H24ClNO4 and a molecular weight of 449.93 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate
PubChem CID2334730
Molecular FormulaC26H24ClNO4
Molecular Weight449.93 g/mol
Exact Mass449.14
IUPAC Name[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate
SMILESC[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClNO4/c1-18(11-12-19-7-3-2-4-8-19)28-24(29)17-32-26(31)23-10-6-5-9-22(23)25(30)20-13-15-21(27)16-14-20/h2-10,13-16,18H,11-12,17H2,1H3,(H,28,29)/t18-/m0/s1
InChIKeyYTRWOLSIJYABRD-SFHVURJKSA-N
XLogP4.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.93
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)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

[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-(4-chlorobenzoyl)benzoate
CID 4626507
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-chlorobenzoate
CID 2365167
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630638
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methylbenzoate
CID 6915016
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-(hydroxymethyl)benzoate
CID 18777344
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-bromobenzoate
CID 2625768
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 2091273
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 2091272
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926734
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-acetamidobenzoate
CID 7654302
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] naphthalene-2-carboxylate
CID 2507620
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate (CID 2334730) is [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate is C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate?
The InChIKey is YTRWOLSIJYABRD-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24ClNO4/c1-18(11-12-19-7-3-2-4-8-19)28-24(29)17-32-26(31)23-10-6-5-9-22(23)25(30)20-13-15-21(27)16-14-20/h2-10,13-16,18H,11-12,17H2,1H3,(H,28,29)/t18-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate?
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate has a molecular weight of 449.93 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 2334730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).