2-(4-fluoroanilino)-N-propylpropanamide

C12H17FN2O — CID 43086796

IUPAC2-(4-fluoroanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-3-8-14-12(16)9(2)15-11-6-4-10(13)5-7-11/h4-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyBBWPAWSLQIKLHX-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-fluoroanilino)-N-propylpropanamide

2-(4-fluoroanilino)-N-propylpropanamide (PubChem CID 43086796) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-propylpropanamide
PubChem CID43086796
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(4-fluoroanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-3-8-14-12(16)9(2)15-11-6-4-10(13)5-7-11/h4-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyBBWPAWSLQIKLHX-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
2-(3-fluoro-5-methylanilino)-N-propylpropanamide
CID 79055254
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
2-(4-butan-2-yloxyanilino)-N-propylpropanamide
CID 3030788
2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-propylpropanamide?
The IUPAC name of 2-(4-fluoroanilino)-N-propylpropanamide (CID 43086796) is 2-(4-fluoroanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-propylpropanamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-N-propylpropanamide?
The InChIKey is BBWPAWSLQIKLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-8-14-12(16)9(2)15-11-6-4-10(13)5-7-11/h4-7,9,15H,3,8H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-fluoroanilino)-N-propylpropanamide?
2-(4-fluoroanilino)-N-propylpropanamide has a molecular weight of 224.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-propylpropanamide is sourced from PubChem (CID 43086796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).