2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide

C14H20FN3O2 — CID 60695769

IUPAC2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C14H20FN3O2/c1-3-8-16-14(20)10(2)17-9-13(19)18-12-7-5-4-6-11(12)15/h4-7,10,17H,3,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJIHVONPRXPEMPJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.27
Rot. Bonds7

About 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide

2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide (PubChem CID 60695769) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
PubChem CID60695769
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C14H20FN3O2/c1-3-8-16-14(20)10(2)17-9-13(19)18-12-7-5-4-6-11(12)15/h4-7,10,17H,3,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJIHVONPRXPEMPJ-UHFFFAOYSA-N
XLogP1.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83194252
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide
CID 61464633
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide
CID 115745528
2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide
CID 3386370
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
CID 81390056
N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
N-(2-fluorophenyl)butanamide
CID 849021
(2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide
CID 7356542
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide (CID 60695769) is 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide?
The InChIKey is JIHVONPRXPEMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-3-8-16-14(20)10(2)17-9-13(19)18-12-7-5-4-6-11(12)15/h4-7,10,17H,3,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide?
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide has a molecular weight of 281.33 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 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-propylpropanamide is sourced from PubChem (CID 60695769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).