N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide

C15H21FN2O2 — CID 113059285

IUPACN-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-11(19)18(13-7-5-12(16)6-8-13)10-9-17-14(20)15(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyULVGVNFJSRRQHI-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.34
Rot. Bonds4

About N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide

N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide (PubChem CID 113059285) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
PubChem CID113059285
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-11(19)18(13-7-5-12(16)6-8-13)10-9-17-14(20)15(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyULVGVNFJSRRQHI-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2,2-dimethylpropanamide
CID 113063717
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide
CID 113061547
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
CID 113059350
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide (CID 113059285) is N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide is CC(=O)N(CCNC(=O)C(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is ULVGVNFJSRRQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(19)18(13-7-5-12(16)6-8-13)10-9-17-14(20)15(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide?
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 280.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113059285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).