3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

C20H24FNO — CID 59836648

IUPAC3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C20H24FNO/c1-20(2,3)13-16-6-5-7-17(12-16)19(23)22(4)14-15-8-10-18(21)11-9-15/h5-12H,13-14H2,1-4H3
InChIKeyVEWQNGZJRILJPP-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.69
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 59836648) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID59836648
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C20H24FNO/c1-20(2,3)13-16-6-5-7-17(12-16)19(23)22(4)14-15-8-10-18(21)11-9-15/h5-12H,13-14H2,1-4H3
InChIKeyVEWQNGZJRILJPP-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 59836602
3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 59836606
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 42383715
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (CID 59836648) is 3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1cccc(CC(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is VEWQNGZJRILJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-20(2,3)13-16-6-5-7-17(12-16)19(23)22(4)14-15-8-10-18(21)11-9-15/h5-12H,13-14H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 313.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 59836648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).