N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide

C16H24FNO2 — CID 166311380

IUPACN-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide
SMILESCN(CCC(C)(C)C)C(=O)c1ccccc1OCCF
InChIInChI=1S/C16H24FNO2/c1-16(2,3)9-11-18(4)15(19)13-7-5-6-8-14(13)20-12-10-17/h5-8H,9-12H2,1-4H3
InChIKeyULERKFCJNPHJAI-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.54
Rot. Bonds6

About N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide

N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide (PubChem CID 166311380) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide
PubChem CID166311380
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide
SMILESCN(CCC(C)(C)C)C(=O)c1ccccc1OCCF
InChIInChI=1S/C16H24FNO2/c1-16(2,3)9-11-18(4)15(19)13-7-5-6-8-14(13)20-12-10-17/h5-8H,9-12H2,1-4H3
InChIKeyULERKFCJNPHJAI-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide 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

N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
CID 119653975
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-phenoxybenzamide
CID 18282160
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 51101796
2-(2-methoxyethoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55997231
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301
4-[methyl-(2-prop-2-enoxybenzoyl)amino]butanoic acid
CID 43360054
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
2-anilino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 31665595
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1,2-bis(2-fluoroethoxy)benzene
CID 15058677
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide
CID 63578013

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide (CID 166311380) is N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide is CN(CCC(C)(C)C)C(=O)c1ccccc1OCCF.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide?
The InChIKey is ULERKFCJNPHJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-16(2,3)9-11-18(4)15(19)13-7-5-6-8-14(13)20-12-10-17/h5-8H,9-12H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide?
N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide has a molecular weight of 281.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide is sourced from PubChem (CID 166311380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).