(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid

C13H13Cl2F2NO3 — CID 129465879

IUPAC(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid
SMILESO=C(CCc1ccc(Cl)cc1Cl)N[C@H](CC(F)F)C(=O)O
InChIInChI=1S/C13H13Cl2F2NO3/c14-8-3-1-7(9(15)5-8)2-4-12(19)18-10(13(20)21)6-11(16)17/h1,3,5,10-11H,2,4,6H2,(H,18,19)(H,20,21)/t10-/m1/s1
InChIKeyQWACDEMVMZWAIR-SNVBAGLBSA-N
MW340.15 g/mol
LogP3.15
Rot. Bonds7

About (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid

(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid (PubChem CID 129465879) has the molecular formula C13H13Cl2F2NO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid
PubChem CID129465879
Molecular FormulaC13H13Cl2F2NO3
Molecular Weight340.15 g/mol
Exact Mass339.02
IUPAC Name(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid
SMILESO=C(CCc1ccc(Cl)cc1Cl)N[C@H](CC(F)F)C(=O)O
InChIInChI=1S/C13H13Cl2F2NO3/c14-8-3-1-7(9(15)5-8)2-4-12(19)18-10(13(20)21)6-11(16)17/h1,3,5,10-11H,2,4,6H2,(H,18,19)(H,20,21)/t10-/m1/s1
InChIKeyQWACDEMVMZWAIR-SNVBAGLBSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926441
2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methylpentanoic acid
CID 43356411
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
5-[3-(2,4-dichlorophenyl)propanoylamino]-2-methylpentanoic acid
CID 104681872
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid
CID 80750195
2-[3-(2-bromo-5-chlorophenyl)propanoylamino]butanoic acid
CID 120687050
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-sulfanylbutanoic acid
CID 114212535
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
(2S)-4-amino-2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-oxobutanoic acid
CID 61142148
3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 133225084
3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 100608718
3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid?
The IUPAC name of (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid (CID 129465879) is (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid.
What is the SMILES notation for (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid?
The canonical SMILES for (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid is O=C(CCc1ccc(Cl)cc1Cl)N[C@H](CC(F)F)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid?
The InChIKey is QWACDEMVMZWAIR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13Cl2F2NO3/c14-8-3-1-7(9(15)5-8)2-4-12(19)18-10(13(20)21)6-11(16)17/h1,3,5,10-11H,2,4,6H2,(H,18,19)(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid?
(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid has a molecular weight of 340.15 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid is sourced from PubChem (CID 129465879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).