3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide

C18H19FN2O2 — CID 113126653

IUPAC3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c1-14(22)21(17-10-6-5-9-16(17)19)12-11-18(23)20-13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyTXRMJBCORRIRJR-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.89
Rot. Bonds6

About 3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide

3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide (PubChem CID 113126653) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
PubChem CID113126653
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c1-14(22)21(17-10-6-5-9-16(17)19)12-11-18(23)20-13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyTXRMJBCORRIRJR-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide
CID 113126629
methyl 2-[acetyl-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131230
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113135222
3-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113131653
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 113130337

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide (CID 113126653) is 3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide is CC(=O)N(CCC(=O)NCc1ccccc1)c1ccccc1F.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide?
The InChIKey is TXRMJBCORRIRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-14(22)21(17-10-6-5-9-16(17)19)12-11-18(23)20-13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide?
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide has a molecular weight of 314.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide is sourced from PubChem (CID 113126653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).