2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate

C18H17Cl2NO4 — CID 2575810

IUPAC2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-12(21-17(22)15-4-2-3-5-16(15)20)18(23)25-11-10-24-14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyXXNRECSNNQFDTN-GFCCVEGCSA-N
MW382.24 g/mol
LogP3.73
Rot. Bonds7

About 2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate

2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 2575810) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID2575810
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-12(21-17(22)15-4-2-3-5-16(15)20)18(23)25-11-10-24-14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyXXNRECSNNQFDTN-GFCCVEGCSA-N
XLogP3.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575812
2-(4-chlorophenoxy)ethyl (2S)-2-benzamidopropanoate
CID 7571927
2-chloro-N-[(2S)-1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 40718205
2-(3-ethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307071
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
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55925743
2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 46435034
[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570560
2-(4-chlorophenoxy)ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8844031

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate (CID 2575810) is 2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate is C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is XXNRECSNNQFDTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-12(21-17(22)15-4-2-3-5-16(15)20)18(23)25-11-10-24-14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate?
2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 382.24 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 2575810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).