3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide

C18H21FN2O2 — CID 111458155

IUPAC3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)NCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O2/c1-21(2)12-13-4-3-5-15(10-13)18(23)20-11-17(22)14-6-8-16(19)9-7-14/h3-10,17,22H,11-12H2,1-2H3,(H,20,23)
InChIKeySAJYLWYZFVTCNE-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.35
Rot. Bonds6

About 3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide

3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 111458155) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
PubChem CID111458155
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)NCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O2/c1-21(2)12-13-4-3-5-15(10-13)18(23)20-11-17(22)14-6-8-16(19)9-7-14/h3-10,17,22H,11-12H2,1-2H3,(H,20,23)
InChIKeySAJYLWYZFVTCNE-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide
CID 78866825
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide
CID 86996508
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-nitrobenzamide
CID 110888918
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
CID 110885502
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide
CID 111488384
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
CID 110888923
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78897097
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide (CID 111458155) is 3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide is CN(C)Cc1cccc(C(=O)NCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is SAJYLWYZFVTCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(2)12-13-4-3-5-15(10-13)18(23)20-11-17(22)14-6-8-16(19)9-7-14/h3-10,17,22H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide?
3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 316.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 111458155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).