2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide

C14H19FN2O2 — CID 63100231

IUPAC2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
SMILESO=C(CNCc1cccc(F)c1)NC1CCOCC1
InChIInChI=1S/C14H19FN2O2/c15-12-3-1-2-11(8-12)9-16-10-14(18)17-13-4-6-19-7-5-13/h1-3,8,13,16H,4-7,9-10H2,(H,17,18)
InChIKeySWWFKFYCEJYWFQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.21
Rot. Bonds5

About 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide

2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63100231) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
PubChem CID63100231
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
SMILESO=C(CNCc1cccc(F)c1)NC1CCOCC1
InChIInChI=1S/C14H19FN2O2/c15-12-3-1-2-11(8-12)9-16-10-14(18)17-13-4-6-19-7-5-13/h1-3,8,13,16H,4-7,9-10H2,(H,17,18)
InChIKeySWWFKFYCEJYWFQ-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63098869
2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099192
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
3-[[[2-(cyclopropylamino)-2-oxoethyl]amino]methyl]benzoic acid
CID 103239145
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
2-[3-(ethylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098119
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide (CID 63100231) is 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide is O=C(CNCc1cccc(F)c1)NC1CCOCC1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is SWWFKFYCEJYWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-3-1-2-11(8-12)9-16-10-14(18)17-13-4-6-19-7-5-13/h1-3,8,13,16H,4-7,9-10H2,(H,17,18).
What are the key properties of 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide?
2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63100231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).