2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide

C15H21FN2O2 — CID 63099712

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
SMILESO=C(CNCCc1ccc(F)cc1)NC1CCOCC1
InChIInChI=1S/C15H21FN2O2/c16-13-3-1-12(2-4-13)5-8-17-11-15(19)18-14-6-9-20-10-7-14/h1-4,14,17H,5-11H2,(H,18,19)
InChIKeyPMRNTWQQQONRJU-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.25
Rot. Bonds6

About 2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide

2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63099712) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
PubChem CID63099712
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
SMILESO=C(CNCCc1ccc(F)cc1)NC1CCOCC1
InChIInChI=1S/C15H21FN2O2/c16-13-3-1-12(2-4-13)5-8-17-11-15(19)18-14-6-9-20-10-7-14/h1-4,14,17H,5-11H2,(H,18,19)
InChIKeyPMRNTWQQQONRJU-UHFFFAOYSA-N
XLogP1.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.25
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

ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017
2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 63097642
2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099192
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63100231
3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
CID 175666639
2-[[(R)-(4-fluorophenyl)-phenylmethyl]amino]-N-(oxan-4-yl)acetamide
CID 96516187
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide
CID 63100245
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide (CID 63099712) is 2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide is O=C(CNCCc1ccc(F)cc1)NC1CCOCC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is PMRNTWQQQONRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-3-1-12(2-4-13)5-8-17-11-15(19)18-14-6-9-20-10-7-14/h1-4,14,17H,5-11H2,(H,18,19).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide?
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63099712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).