2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide

C17H19FN2O — CID 119059100

IUPAC2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide
SMILESCC(c1ccc(-c2cccc(F)c2C(N)=O)cc1)N(C)C
InChIInChI=1S/C17H19FN2O/c1-11(20(2)3)12-7-9-13(10-8-12)14-5-4-6-15(18)16(14)17(19)21/h4-11H,1-3H3,(H2,19,21)
InChIKeyJRFQLWCMUADSDY-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.21
Rot. Bonds4

About 2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide

2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide (PubChem CID 119059100) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide
PubChem CID119059100
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide
SMILESCC(c1ccc(-c2cccc(F)c2C(N)=O)cc1)N(C)C
InChIInChI=1S/C17H19FN2O/c1-11(20(2)3)12-7-9-13(10-8-12)14-5-4-6-15(18)16(14)17(19)21/h4-11H,1-3H3,(H2,19,21)
InChIKeyJRFQLWCMUADSDY-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-pyridin-4-ylbenzamide
CID 46315506
2,6-bis(4-methylphenyl)benzamide
CID 11301076
2-fluoro-6-(4-pyrrolidin-2-ylphenyl)benzamide
CID 72939908
1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone
CID 175686731
CID 161042703
CID 161042703
2-fluoro-6-hydroxybenzamide
CID 15219200
4-(2,3-difluorophenyl)benzamide
CID 18626229
2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide
CID 140560000
2,3-dichloro-4-fluoro-6-phenylbenzamide
CID 118433439
ethyl 2-(4-ethoxycarbonylphenyl)-6-fluorobenzoate
CID 102026387
2-(4-ethylsulfanylphenyl)-6-fluorobenzoic acid
CID 53227315
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide?
The IUPAC name of 2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide (CID 119059100) is 2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide.
What is the SMILES notation for 2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide?
The canonical SMILES for 2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide is CC(c1ccc(-c2cccc(F)c2C(N)=O)cc1)N(C)C.
What is the InChIKey of 2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide?
The InChIKey is JRFQLWCMUADSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11(20(2)3)12-7-9-13(10-8-12)14-5-4-6-15(18)16(14)17(19)21/h4-11H,1-3H3,(H2,19,21).
What are the key properties of 2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide?
2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(dimethylamino)ethyl]phenyl]-6-fluorobenzamide is sourced from PubChem (CID 119059100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).