3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide

C15H21FN2O3 — CID 107202420

IUPAC3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCCCCO)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-18(8-3-2-4-9-19)14(20)11-17-15(21)12-6-5-7-13(16)10-12/h5-7,10,19H,2-4,8-9,11H2,1H3,(H,17,21)
InChIKeyMMWTUYYVDYRPCB-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.18
Rot. Bonds8

About 3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide

3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide (PubChem CID 107202420) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
PubChem CID107202420
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCCCCO)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-18(8-3-2-4-9-19)14(20)11-17-15(21)12-6-5-7-13(16)10-12/h5-7,10,19H,2-4,8-9,11H2,1H3,(H,17,21)
InChIKeyMMWTUYYVDYRPCB-UHFFFAOYSA-N
XLogP1.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.18
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

N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 107202831
2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107201944
3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855
3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79380984
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43359941
3-bromo-N-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]benzamide
CID 55953212
2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid
CID 61011831
3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 78839008
N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
CID 143334744

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide (CID 107202420) is 3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide is CN(CCCCCO)C(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide?
The InChIKey is MMWTUYYVDYRPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-18(8-3-2-4-9-19)14(20)11-17-15(21)12-6-5-7-13(16)10-12/h5-7,10,19H,2-4,8-9,11H2,1H3,(H,17,21).
What are the key properties of 3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide has a molecular weight of 296.34 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 107202420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).