3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide

C19H21FN2O2 — CID 131911038

IUPAC3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccccc1NC(=O)Cc1ccc(C)c(F)c1
InChIInChI=1S/C19H21FN2O2/c1-13-7-8-14(11-16(13)20)12-19(24)22-17-6-4-3-5-15(17)9-10-18(23)21-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyASTYIFQHSQWRFH-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.99
Rot. Bonds6

About 3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide

3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide (PubChem CID 131911038) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide
PubChem CID131911038
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccccc1NC(=O)Cc1ccc(C)c(F)c1
InChIInChI=1S/C19H21FN2O2/c1-13-7-8-14(11-16(13)20)12-19(24)22-17-6-4-3-5-15(17)9-10-18(23)21-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyASTYIFQHSQWRFH-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
N-(2-fluorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 41484310
3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide
CID 131924655
N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
N-(2-benzylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045822
3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide
CID 58065193
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide?
The IUPAC name of 3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide (CID 131911038) is 3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide?
The canonical SMILES for 3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide is CNC(=O)CCc1ccccc1NC(=O)Cc1ccc(C)c(F)c1.
What is the InChIKey of 3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide?
The InChIKey is ASTYIFQHSQWRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-7-8-14(11-16(13)20)12-19(24)22-17-6-4-3-5-15(17)9-10-18(23)21-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide?
3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide has a molecular weight of 328.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide is sourced from PubChem (CID 131911038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).