2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide

C18H20FNO — CID 84505459

IUPAC2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
SMILESCc1cccc(CCCNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO/c1-14-4-2-5-15(12-14)6-3-11-20-18(21)13-16-7-9-17(19)10-8-16/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,20,21)
InChIKeyPWAGNHHDKZFDOY-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.43
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide

2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide (PubChem CID 84505459) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
PubChem CID84505459
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
SMILESCc1cccc(CCCNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO/c1-14-4-2-5-15(12-14)6-3-11-20-18(21)13-16-7-9-17(19)10-8-16/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,20,21)
InChIKeyPWAGNHHDKZFDOY-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
N-[3-(3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516624
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993407
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
N-(6-bromohexyl)-2-(3-methylphenyl)acetamide
CID 107847492
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide (CID 84505459) is 2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide is Cc1cccc(CCCNC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide?
The InChIKey is PWAGNHHDKZFDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-14-4-2-5-15(12-14)6-3-11-20-18(21)13-16-7-9-17(19)10-8-16/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide?
2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide has a molecular weight of 285.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 84505459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).