N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide

C15H21FN2O3 — CID 111121343

IUPACN-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
SMILESCCCCCN(CCO)C(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-2-3-4-8-18(9-10-19)15(21)14(20)17-13-7-5-6-12(16)11-13/h5-7,11,19H,2-4,8-10H2,1H3,(H,17,20)
InChIKeyYBYJMMLGKJSZON-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.78
Rot. Bonds7

About N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide

N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide (PubChem CID 111121343) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
PubChem CID111121343
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
SMILESCCCCCN(CCO)C(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-2-3-4-8-18(9-10-19)15(21)14(20)17-13-7-5-6-12(16)11-13/h5-7,11,19H,2-4,8-10H2,1H3,(H,17,20)
InChIKeyYBYJMMLGKJSZON-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121347
N-(3-fluorophenyl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 111120327
3-(3-fluorophenyl)-1,1-dihexylthiourea
CID 19653368
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
3-(3,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120524
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121338
N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501333
3-(2,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120402
N-(3-bromophenyl)-N',N'-dipropyloxamide
CID 47335979
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
N-(4-bromophenyl)-N',N'-dioctyloxamide
CID 163361775

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
The IUPAC name of N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide (CID 111121343) is N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide.
What is the SMILES notation for N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
The canonical SMILES for N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide is CCCCCN(CCO)C(=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
The InChIKey is YBYJMMLGKJSZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-2-3-4-8-18(9-10-19)15(21)14(20)17-13-7-5-6-12(16)11-13/h5-7,11,19H,2-4,8-10H2,1H3,(H,17,20).
What are the key properties of N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide?
N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide has a molecular weight of 296.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide is sourced from PubChem (CID 111121343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).