N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide

C18H20FNO — CID 100720245

IUPACN-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H20FNO/c1-13-5-10-17(14(2)12-13)18(21)20-11-3-4-15-6-8-16(19)9-7-15/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyLOYBUIPYGZVEKK-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.81
Rot. Bonds5

About N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide

N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide (PubChem CID 100720245) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
PubChem CID100720245
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H20FNO/c1-13-5-10-17(14(2)12-13)18(21)20-11-3-4-15-6-8-16(19)9-7-15/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyLOYBUIPYGZVEKK-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.81
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-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726186
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
CID 84505459

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide (CID 100720245) is N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCc2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide?
The InChIKey is LOYBUIPYGZVEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-5-10-17(14(2)12-13)18(21)20-11-3-4-15-6-8-16(19)9-7-15/h5-10,12H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide?
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide has a molecular weight of 285.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 100720245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).