N-(3,4-dimethoxyphenyl)-5-fluoropentanamide

C13H18FNO3 — CID 24786653

IUPACN-(3,4-dimethoxyphenyl)-5-fluoropentanamide
SMILESCOc1ccc(NC(=O)CCCCF)cc1OC
InChIInChI=1S/C13H18FNO3/c1-17-11-7-6-10(9-12(11)18-2)15-13(16)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyXJBIPBHBNHQIJD-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.78
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-5-fluoropentanamide

N-(3,4-dimethoxyphenyl)-5-fluoropentanamide (PubChem CID 24786653) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-fluoropentanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-fluoropentanamide
PubChem CID24786653
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC NameN-(3,4-dimethoxyphenyl)-5-fluoropentanamide
SMILESCOc1ccc(NC(=O)CCCCF)cc1OC
InChIInChI=1S/C13H18FNO3/c1-17-11-7-6-10(9-12(11)18-2)15-13(16)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyXJBIPBHBNHQIJD-UHFFFAOYSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
CID 11558534
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
5-hydroxy-N-(4-methoxy-3-methylphenyl)pentanamide
CID 79208943
N-(3,4-dimethoxyphenyl)-3-(3-methylbutylamino)propanamide
CID 109032052

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-fluoropentanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-fluoropentanamide (CID 24786653) is N-(3,4-dimethoxyphenyl)-5-fluoropentanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-fluoropentanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-fluoropentanamide is COc1ccc(NC(=O)CCCCF)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-fluoropentanamide?
The InChIKey is XJBIPBHBNHQIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-17-11-7-6-10(9-12(11)18-2)15-13(16)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-fluoropentanamide?
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide has a molecular weight of 255.29 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-fluoropentanamide is sourced from PubChem (CID 24786653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).