N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H18FNO2 — CID 112604909

IUPACN-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-13(2,3)17-9-12(16)15-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyQGDBLTFNDNBSCF-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.26
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604909) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604909
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-13(2,3)17-9-12(16)15-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyQGDBLTFNDNBSCF-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]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-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid
CID 115949291
N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604971
2-(2-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 24536882
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
tert-butyl N-[2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanylethyl]carbamate
CID 84557447
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3,5-difluorobenzoate
CID 8807853

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604909) is N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is QGDBLTFNDNBSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,3)17-9-12(16)15-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 239.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).