2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide

C14H20FNO2 — CID 103764860

IUPAC2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
SMILESCOCCCCCNC(=O)c1cccc(C)c1F
InChIInChI=1S/C14H20FNO2/c1-11-7-6-8-12(13(11)15)14(17)16-9-4-3-5-10-18-2/h6-8H,3-5,9-10H2,1-2H3,(H,16,17)
InChIKeyFZEBNTRXULPZBF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.68
Rot. Bonds7

About 2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide

2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide (PubChem CID 103764860) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
PubChem CID103764860
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
SMILESCOCCCCCNC(=O)c1cccc(C)c1F
InChIInChI=1S/C14H20FNO2/c1-11-7-6-8-12(13(11)15)14(17)16-9-4-3-5-10-18-2/h6-8H,3-5,9-10H2,1-2H3,(H,16,17)
InChIKeyFZEBNTRXULPZBF-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
CID 83210686
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea
CID 86871522
2-fluoro-N-(4-methoxybutyl)-3-methyl-5-nitrobenzamide
CID 103297310
2,3-difluoro-N-pentylbenzamide
CID 62649821
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
CID 103852955

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide (CID 103764860) is 2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide is COCCCCCNC(=O)c1cccc(C)c1F.
What is the InChIKey of 2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide?
The InChIKey is FZEBNTRXULPZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11-7-6-8-12(13(11)15)14(17)16-9-4-3-5-10-18-2/h6-8H,3-5,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide?
2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide is sourced from PubChem (CID 103764860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).