[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate

C18H17Cl2NO3 — CID 7723030

IUPAC[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
SMILESC[C@@H](CNC(=O)COC(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H17Cl2NO3/c1-12(13-5-3-2-4-6-13)10-21-17(22)11-24-18(23)15-9-14(19)7-8-16(15)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyFXEHWHCOPCKDHP-LBPRGKRZSA-N
MW366.24 g/mol
LogP4.07
Rot. Bonds6

About [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate (PubChem CID 7723030) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
PubChem CID7723030
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
SMILESC[C@@H](CNC(=O)COC(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H17Cl2NO3/c1-12(13-5-3-2-4-6-13)10-21-17(22)11-24-18(23)15-9-14(19)7-8-16(15)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyFXEHWHCOPCKDHP-LBPRGKRZSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-chloro-5-methylsulfanylbenzoate
CID 8012411
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-chloro-5-sulfamoylbenzoate
CID 7993837
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7167691
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-chloropyridine-3-carboxylate
CID 7867520
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-chloroquinoline-4-carboxylate
CID 9009387
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209242
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470
[2-(benzhydrylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619818
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,5-dimethylbenzoate
CID 8535856
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021089
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
CID 7971711
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate?
The IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate (CID 7723030) is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate is C[C@@H](CNC(=O)COC(=O)c1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate?
The InChIKey is FXEHWHCOPCKDHP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-12(13-5-3-2-4-6-13)10-21-17(22)11-24-18(23)15-9-14(19)7-8-16(15)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate?
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate has a molecular weight of 366.24 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate is sourced from PubChem (CID 7723030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).