4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide

C15H22FN3O2 — CID 119268521

IUPAC4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide
SMILESCC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)CCCN
InChIInChI=1S/C15H22FN3O2/c1-11(2)19(15(21)4-3-9-17)10-14(20)18-13-7-5-12(16)6-8-13/h5-8,11H,3-4,9-10,17H2,1-2H3,(H,18,20)
InChIKeyCECCBYVHZCRYFG-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.74
Rot. Bonds7

About 4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide

4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide (PubChem CID 119268521) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide
PubChem CID119268521
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide
SMILESCC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)CCCN
InChIInChI=1S/C15H22FN3O2/c1-11(2)19(15(21)4-3-9-17)10-14(20)18-13-7-5-12(16)6-8-13/h5-8,11H,3-4,9-10,17H2,1-2H3,(H,18,20)
InChIKeyCECCBYVHZCRYFG-UHFFFAOYSA-N
XLogP1.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide;hydrochloride
CID 119268520
2-[[2-(4-fluoroanilino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]-N-(4-fluorophenyl)acetamide
CID 17430347
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide
CID 119684397
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 112799775
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yldodecanamide
CID 3629370
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 3488840
2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60832948
2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
CID 82180278
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 35329297
3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111112642

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide (CID 119268521) is 4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide is CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide?
The InChIKey is CECCBYVHZCRYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-11(2)19(15(21)4-3-9-17)10-14(20)18-13-7-5-12(16)6-8-13/h5-8,11H,3-4,9-10,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide?
4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide has a molecular weight of 295.36 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 119268521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).