3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide

C18H18ClFN2O2 — CID 113126745

IUPAC3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(Cl)ccc1C)c1ccccc1F
InChIInChI=1S/C18H18ClFN2O2/c1-12-7-8-14(19)11-16(12)21-18(24)9-10-22(13(2)23)17-6-4-3-5-15(17)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyCTDFRWUJSQAARP-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.17
Rot. Bonds5

About 3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide

3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 113126745) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID113126745
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(Cl)ccc1C)c1ccccc1F
InChIInChI=1S/C18H18ClFN2O2/c1-12-7-8-14(19)11-16(12)21-18(24)9-10-22(13(2)23)17-6-4-3-5-15(17)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyCTDFRWUJSQAARP-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

2-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 113170823
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-2-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126725
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 113126806
3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113130031
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide (CID 113126745) is 3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(Cl)ccc1C)c1ccccc1F.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is CTDFRWUJSQAARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-12-7-8-14(19)11-16(12)21-18(24)9-10-22(13(2)23)17-6-4-3-5-15(17)20/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide?
3-(N-acetyl-2-fluoroanilino)-N-(5-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-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 113126745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).