3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide

C21H25FN2O2 — CID 113126703

IUPAC3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)N(Cc1ccccc1)C(C)C)c1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-16(2)24(15-18-9-5-4-6-10-18)21(26)13-14-23(17(3)25)20-12-8-7-11-19(20)22/h4-12,16H,13-15H2,1-3H3
InChIKeyUTIUSOVRZHJXHS-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.01
Rot. Bonds7

About 3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide

3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide (PubChem CID 113126703) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
PubChem CID113126703
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)N(Cc1ccccc1)C(C)C)c1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-16(2)24(15-18-9-5-4-6-10-18)21(26)13-14-23(17(3)25)20-12-8-7-11-19(20)22/h4-12,16H,13-15H2,1-3H3
InChIKeyUTIUSOVRZHJXHS-UHFFFAOYSA-N
XLogP4.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113178994
3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113114991
methyl 4-[acetyl-[3-[benzyl(propan-2-yl)amino]-3-oxopropyl]amino]benzoate
CID 113131513
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide
CID 113126629
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113115788
3-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113133420
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
CID 113135924
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162207
methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate
CID 113176097

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide (CID 113126703) is 3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide is CC(=O)N(CCC(=O)N(Cc1ccccc1)C(C)C)c1ccccc1F.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide?
The InChIKey is UTIUSOVRZHJXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-16(2)24(15-18-9-5-4-6-10-18)21(26)13-14-23(17(3)25)20-12-8-7-11-19(20)22/h4-12,16H,13-15H2,1-3H3.
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide?
3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide has a molecular weight of 356.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 113126703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).