N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide

C18H19FN2O2 — CID 46467166

IUPACN-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O2/c1-3-17(22)20-15-8-7-12(2)16(11-15)21-18(23)10-13-5-4-6-14(19)9-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCAUIQLQHXNXOSK-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.66
Rot. Bonds5

About N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide

N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide (PubChem CID 46467166) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide
PubChem CID46467166
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O2/c1-3-17(22)20-15-8-7-12(2)16(11-15)21-18(23)10-13-5-4-6-14(19)9-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCAUIQLQHXNXOSK-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 86865777
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43806426
2-(3-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131926451
2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262
2-(3-fluorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107367
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 104757005
N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112980257
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide (CID 46467166) is N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)Cc2cccc(F)c2)c1.
What is the InChIKey of N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide?
The InChIKey is CAUIQLQHXNXOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-17(22)20-15-8-7-12(2)16(11-15)21-18(23)10-13-5-4-6-14(19)9-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide?
N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide has a molecular weight of 314.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 46467166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).