N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide

C13H18FNO — CID 110472861

IUPACN-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
SMILESCC(C)(C)CNC(=O)Cc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-13(2,3)9-15-12(16)8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyIILFGHKRAKOIID-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.53
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide

N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide (PubChem CID 110472861) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
PubChem CID110472861
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
SMILESCC(C)(C)CNC(=O)Cc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-13(2,3)9-15-12(16)8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyIILFGHKRAKOIID-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
CID 38450332
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
N-[2-(ethylamino)ethyl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 119260410
tert-butyl N-[2-[3-[[2-(2-fluorophenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918808
2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976
N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
CID 62666475
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604909
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide (CID 110472861) is N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide is CC(C)(C)CNC(=O)Cc1ccccc1F.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide?
The InChIKey is IILFGHKRAKOIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2,3)9-15-12(16)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-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide?
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide has a molecular weight of 223.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 110472861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).