3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide

C18H17ClF2N2O2 — CID 113133497

IUPAC3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1ccc(F)cc1F
InChIInChI=1S/C18H17ClF2N2O2/c1-11-9-13(19)3-5-16(11)22-18(25)7-8-23(12(2)24)17-6-4-14(20)10-15(17)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)
InChIKeyWXMZBDGKVJKFQN-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.31
Rot. Bonds5

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

3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 113133497) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID113133497
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Name3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1ccc(F)cc1F
InChIInChI=1S/C18H17ClF2N2O2/c1-11-9-13(19)3-5-16(11)22-18(25)7-8-23(12(2)24)17-6-4-14(20)10-15(17)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)
InChIKeyWXMZBDGKVJKFQN-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113133551
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127609
3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113123700
3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide
CID 113133488
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113128327
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113127889

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide (CID 113133497) is 3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1ccc(F)cc1F.
What is the InChIKey of 3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is WXMZBDGKVJKFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c1-11-9-13(19)3-5-16(11)22-18(25)7-8-23(12(2)24)17-6-4-14(20)10-15(17)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide?
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 366.80 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 113133497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).