[(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate

C18H17Cl2NO3 — CID 7570838

IUPAC[(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C18H17Cl2NO3/c1-11(21-17(22)14-8-4-6-10-16(14)20)18(23)24-12(2)13-7-3-5-9-15(13)19/h3-12H,1-2H3,(H,21,22)/t11-,12-/m0/s1
InChIKeyXUOXOFCBHICMNS-RYUDHWBXSA-N
MW366.24 g/mol
LogP4.42
Rot. Bonds5

About [(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate

[(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 7570838) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID7570838
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C18H17Cl2NO3/c1-11(21-17(22)14-8-4-6-10-16(14)20)18(23)24-12(2)13-7-3-5-9-15(13)19/h3-12H,1-2H3,(H,21,22)/t11-,12-/m0/s1
InChIKeyXUOXOFCBHICMNS-RYUDHWBXSA-N
XLogP4.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570790
[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570560
[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55926372
4-methylpentyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 91716474
octadecyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20837400
heptyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20836974
[1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55935157
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55365726
2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575810
2-(4-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575812

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate (CID 7570838) is [(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate is C[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is XUOXOFCBHICMNS-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-11(21-17(22)14-8-4-6-10-16(14)20)18(23)24-12(2)13-7-3-5-9-15(13)19/h3-12H,1-2H3,(H,21,22)/t11-,12-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
[(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 366.24 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7570838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).