3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide

C18H18ClFN2O2 — CID 113132367

IUPAC3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C18H18ClFN2O2/c1-13(23)22(17-4-2-3-16(20)11-17)10-9-18(24)21-12-14-5-7-15(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeyZQALIGLQJXVKIM-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.54
Rot. Bonds6

About 3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide

3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 113132367) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID113132367
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C18H18ClFN2O2/c1-13(23)22(17-4-2-3-16(20)11-17)10-9-18(24)21-12-14-5-7-15(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeyZQALIGLQJXVKIM-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113135222
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131
3-(N-acetyl-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113132345
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
CID 113132424

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide (CID 113132367) is 3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is ZQALIGLQJXVKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-13(23)22(17-4-2-3-16(20)11-17)10-9-18(24)21-12-14-5-7-15(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide?
3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 348.81 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113132367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).