2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide

C13H18F2N2O — CID 43398099

IUPAC2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-8(2)17-13(18)7-16-9(3)10-4-5-11(14)12(15)6-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyQYKRMBRXGXHGKO-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.14
Rot. Bonds5

About 2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide

2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 43398099) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
PubChem CID43398099
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-8(2)17-13(18)7-16-9(3)10-4-5-11(14)12(15)6-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyQYKRMBRXGXHGKO-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8637979
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
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-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 8638957
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
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-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140
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-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide (CID 43398099) is 2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is QYKRMBRXGXHGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8(2)17-13(18)7-16-9(3)10-4-5-11(14)12(15)6-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide?
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 256.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43398099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).