2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide

C13H18FN3O2 — CID 61464633

IUPAC2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide
SMILESCC(NCC(=O)Nc1ccccc1F)C(=O)N(C)C
InChIInChI=1S/C13H18FN3O2/c1-9(13(19)17(2)3)15-8-12(18)16-11-7-5-4-6-10(11)14/h4-7,9,15H,8H2,1-3H3,(H,16,18)
InChIKeyIEPBCXTUUCFZFR-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.83
Rot. Bonds5

About 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide

2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide (PubChem CID 61464633) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide
PubChem CID61464633
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide
SMILESCC(NCC(=O)Nc1ccccc1F)C(=O)N(C)C
InChIInChI=1S/C13H18FN3O2/c1-9(13(19)17(2)3)15-8-12(18)16-11-7-5-4-6-10(11)14/h4-7,9,15H,8H2,1-3H3,(H,16,18)
InChIKeyIEPBCXTUUCFZFR-UHFFFAOYSA-N
XLogP0.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83194252
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
2-[2-(dimethylamino)anilino]-N-(2-fluorophenyl)acetamide
CID 106759760
2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913197
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
CID 81390056
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 28568733
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
CID 115745553
(2R)-2-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194221
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide (CID 61464633) is 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide is CC(NCC(=O)Nc1ccccc1F)C(=O)N(C)C.
What is the InChIKey of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide?
The InChIKey is IEPBCXTUUCFZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9(13(19)17(2)3)15-8-12(18)16-11-7-5-4-6-10(11)14/h4-7,9,15H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide?
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide has a molecular weight of 267.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61464633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).