3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide

C18H18ClFN2O2 — CID 113132451

IUPAC3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1cccc(F)c1
InChIInChI=1S/C18H18ClFN2O2/c1-12-10-14(19)6-7-17(12)21-18(24)8-9-22(13(2)23)16-5-3-4-15(20)11-16/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyWALXGVMQLFGXBN-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.17
Rot. Bonds5

About 3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide

3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 113132451) 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-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID113132451
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1cccc(F)c1
InChIInChI=1S/C18H18ClFN2O2/c1-12-10-14(19)6-7-17(12)21-18(24)8-9-22(13(2)23)16-5-3-4-15(20)11-16/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyWALXGVMQLFGXBN-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127609
3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113132367
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide
CID 113132672
3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
CID 113134036
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113128327
2-(N-acetyl-3-fluoroanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113177743

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide (CID 113132451) is 3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1cccc(F)c1.
What is the InChIKey of 3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is WALXGVMQLFGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-12-10-14(19)6-7-17(12)21-18(24)8-9-22(13(2)23)16-5-3-4-15(20)11-16/h3-7,10-11H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide?
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 348.81 g/mol, XLogP of 4.17, 5 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-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 113132451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).