propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate

C12H15ClFNO2 — CID 763951

IUPACpropan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate
SMILESCC(C)OC(=O)[C@@H](C)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO2/c1-7(2)17-12(16)8(3)15-9-4-5-11(14)10(13)6-9/h4-8,15H,1-3H3/t8-/m1/s1
InChIKeyLVZPYQMBOPESIL-MRVPVSSYSA-N
MW259.71 g/mol
LogP3.23
Rot. Bonds4

About propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate

propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate (PubChem CID 763951) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate
PubChem CID763951
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Namepropan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate
SMILESCC(C)OC(=O)[C@@H](C)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO2/c1-7(2)17-12(16)8(3)15-9-4-5-11(14)10(13)6-9/h4-8,15H,1-3H3/t8-/m1/s1
InChIKeyLVZPYQMBOPESIL-MRVPVSSYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

lithium (2S)-2-(3-chloro-4-fluoroanilino)propanoate
CID 69119001
methyl 3-(3-chloro-4-fluoroanilino)-2-methylbutanoate
CID 83107488
tert-butyl 2-(4-chloro-3-fluoroanilino)propanoate
CID 64687546
2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912001
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
tert-butyl 2-(4-fluoro-3-methylanilino)propanoate
CID 64687141
tert-butyl 2-(3,4-difluoroanilino)propanoate
CID 64686526
2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
CID 78907261
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
(2S)-2-(3-chloro-4-fluoroanilino)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 26057005
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate?
The IUPAC name of propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate (CID 763951) is propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate.
What is the SMILES notation for propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate?
The canonical SMILES for propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate is CC(C)OC(=O)[C@@H](C)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate?
The InChIKey is LVZPYQMBOPESIL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-7(2)17-12(16)8(3)15-9-4-5-11(14)10(13)6-9/h4-8,15H,1-3H3/t8-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate?
propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate has a molecular weight of 259.71 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-(3-chloro-4-fluoroanilino)propanoate is sourced from PubChem (CID 763951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).