2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate

C18H17Cl2NO4 — CID 2460325

IUPAC2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCCOc1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2NO4/c1-12(21-17(22)15-7-2-3-8-16(15)20)18(23)25-10-9-24-14-6-4-5-13(19)11-14/h2-8,11-12H,9-10H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyMWGNUUYYJQIXAD-LBPRGKRZSA-N
MW382.24 g/mol
LogP3.73
Rot. Bonds7

About 2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate

2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 2460325) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID2460325
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCCOc1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2NO4/c1-12(21-17(22)15-7-2-3-8-16(15)20)18(23)25-10-9-24-14-6-4-5-13(19)11-14/h2-8,11-12H,9-10H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyMWGNUUYYJQIXAD-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of 2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate (CID 2460325) is 2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for 2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for 2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate is C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCCOc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is MWGNUUYYJQIXAD-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-12(21-17(22)15-7-2-3-8-16(15)20)18(23)25-10-9-24-14-6-4-5-13(19)11-14/h2-8,11-12H,9-10H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 2-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
2-(3-chlorophenoxy)ethyl (2S)-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-(3-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 2460325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).