N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide

C16H26FN3O — CID 62650035

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C16H26FN3O/c1-6-18-14-12(8-7-9-13(14)17)15(21)19-10-16(2,3)11-20(4)5/h7-9,18H,6,10-11H2,1-5H3,(H,19,21)
InChIKeyIORZPHHYTJMLOP-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.58
Rot. Bonds7

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide (PubChem CID 62650035) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide
PubChem CID62650035
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C16H26FN3O/c1-6-18-14-12(8-7-9-13(14)17)15(21)19-10-16(2,3)11-20(4)5/h7-9,18H,6,10-11H2,1-5H3,(H,19,21)
InChIKeyIORZPHHYTJMLOP-UHFFFAOYSA-N
XLogP2.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
CID 103939907
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62660729
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide
CID 89135948
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106143245
2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide
CID 106342576
N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
CID 62649718

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide (CID 62650035) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide is CCNc1c(F)cccc1C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide?
The InChIKey is IORZPHHYTJMLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-6-18-14-12(8-7-9-13(14)17)15(21)19-10-16(2,3)11-20(4)5/h7-9,18H,6,10-11H2,1-5H3,(H,19,21).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide has a molecular weight of 295.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide is sourced from PubChem (CID 62650035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).