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

C15H21FN2O3 — CID 107201944

IUPAC2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCCCCO)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-18(9-5-2-6-10-19)14(20)11-17-15(21)12-7-3-4-8-13(12)16/h3-4,7-8,19H,2,5-6,9-11H2,1H3,(H,17,21)
InChIKeyHZTDSJLDEILOJK-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.18
Rot. Bonds8

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

2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide (PubChem CID 107201944) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
PubChem CID107201944
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCCCCO)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-18(9-5-2-6-10-19)14(20)11-17-15(21)12-7-3-4-8-13(12)16/h3-4,7-8,19H,2,5-6,9-11H2,1H3,(H,17,21)
InChIKeyHZTDSJLDEILOJK-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-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995346
3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107202420
2-fluoro-N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656549
N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 107202831
2-fluoro-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 64510490
2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 31151745
N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 9409680
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide (CID 107201944) is 2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide is CN(CCCCCO)C(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide?
The InChIKey is HZTDSJLDEILOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-18(9-5-2-6-10-19)14(20)11-17-15(21)12-7-3-4-8-13(12)16/h3-4,7-8,19H,2,5-6,9-11H2,1H3,(H,17,21).
What are the key properties of 2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide?
2-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 2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 107201944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).