5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide

C13H18FNO3 — CID 113364744

IUPAC5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCCCOCCO
InChIInChI=1S/C13H18FNO3/c1-10-3-4-11(14)9-12(10)13(17)15-5-2-7-18-8-6-16/h3-4,9,16H,2,5-8H2,1H3,(H,15,17)
InChIKeyHJYVMESSMDPBSV-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.26
Rot. Bonds7

About 5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide

5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide (PubChem CID 113364744) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
PubChem CID113364744
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCCCOCCO
InChIInChI=1S/C13H18FNO3/c1-10-3-4-11(14)9-12(10)13(17)15-5-2-7-18-8-6-16/h3-4,9,16H,2,5-8H2,1H3,(H,15,17)
InChIKeyHJYVMESSMDPBSV-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide
CID 114309490
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-methylbenzamide
CID 114171292
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide
CID 75451638
N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
CID 84594465
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
5-fluoro-2-methyl-N-pent-4-ynylbenzamide
CID 103708979
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide (CID 113364744) is 5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCCCOCCO.
What is the InChIKey of 5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide?
The InChIKey is HJYVMESSMDPBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-10-3-4-11(14)9-12(10)13(17)15-5-2-7-18-8-6-16/h3-4,9,16H,2,5-8H2,1H3,(H,15,17).
What are the key properties of 5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide?
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide has a molecular weight of 255.29 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide is sourced from PubChem (CID 113364744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).