2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

C10H12F2N2O — CID 8637979

IUPAC2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O/c1-6(14-5-10(13)15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3,(H2,13,15)/t6-/m1/s1
InChIKeyUWRFISWLTGTQHS-ZCFIWIBFSA-N
MW214.22 g/mol
LogP1.10
Rot. Bonds4

About 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 8637979) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID8637979
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O/c1-6(14-5-10(13)15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3,(H2,13,15)/t6-/m1/s1
InChIKeyUWRFISWLTGTQHS-ZCFIWIBFSA-N
XLogP1.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8638855
N-(tert-butylcarbamoyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9375557
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
2-[1-(2,5-difluorophenyl)ethylamino]acetamide
CID 16773661
2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9377128
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9375772
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (CID 8637979) is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(N)=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is UWRFISWLTGTQHS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6(14-5-10(13)15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3,(H2,13,15)/t6-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 214.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 8637979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).