2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide

C18H20FN3O2 — CID 17396649

IUPAC2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C18H20FN3O2/c1-11-4-5-16(10-17(11)19)22-18(24)12(2)20-14-6-8-15(9-7-14)21-13(3)23/h4-10,12,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyVTSFYPMMHQJBEE-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide

2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 17396649) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID17396649
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C18H20FN3O2/c1-11-4-5-16(10-17(11)19)22-18(24)12(2)20-14-6-8-15(9-7-14)21-13(3)23/h4-10,12,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyVTSFYPMMHQJBEE-UHFFFAOYSA-N
XLogP3.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
2-(3,4-difluoroanilino)-N-phenylpropanamide
CID 43088769
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide (CID 17396649) is 2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide is CC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is VTSFYPMMHQJBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11-4-5-16(10-17(11)19)22-18(24)12(2)20-14-6-8-15(9-7-14)21-13(3)23/h4-10,12,20H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide?
2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 329.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 17396649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).