methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate

C14H15Cl2FN2O3 — CID 58221964

IUPACmethyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC(F)C1
InChIInChI=1S/C14H15Cl2FN2O3/c1-22-13(20)12(18-14(21)19-6-10(17)7-19)4-8-2-3-9(15)5-11(8)16/h2-3,5,10,12H,4,6-7H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyKRTYYOBDDBENDF-GFCCVEGCSA-N
MW349.19 g/mol
LogP2.44
Rot. Bonds4

About methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate

methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate (PubChem CID 58221964) has the molecular formula C14H15Cl2FN2O3 and a molecular weight of 349.19 g/mol. Its IUPAC name is methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate
PubChem CID58221964
Molecular FormulaC14H15Cl2FN2O3
Molecular Weight349.19 g/mol
Exact Mass348.04
IUPAC Namemethyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC(F)C1
InChIInChI=1S/C14H15Cl2FN2O3/c1-22-13(20)12(18-14(21)19-6-10(17)7-19)4-8-2-3-9(15)5-11(8)16/h2-3,5,10,12H,4,6-7H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyKRTYYOBDDBENDF-GFCCVEGCSA-N
XLogP2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate?
The IUPAC name of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate (CID 58221964) is methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate is COC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC(F)C1.
What is the InChIKey of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate?
The InChIKey is KRTYYOBDDBENDF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15Cl2FN2O3/c1-22-13(20)12(18-14(21)19-6-10(17)7-19)4-8-2-3-9(15)5-11(8)16/h2-3,5,10,12H,4,6-7H2,1H3,(H,18,21)/t12-/m1/s1.
What are the key properties of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate?
methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate has a molecular weight of 349.19 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate is sourced from PubChem (CID 58221964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).