4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide

C19H23FN2O3 — CID 23599702

IUPAC4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide
SMILESCN(C)CCC(O)(c1ccc(F)cc1)c1ccc(C(N)=O)cc1CO
InChIInChI=1S/C19H23FN2O3/c1-22(2)10-9-19(25,15-4-6-16(20)7-5-15)17-8-3-13(18(21)24)11-14(17)12-23/h3-8,11,23,25H,9-10,12H2,1-2H3,(H2,21,24)
InChIKeyFJUYBHDWWKJCFI-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.60
Rot. Bonds7

About 4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide

4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide (PubChem CID 23599702) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide
PubChem CID23599702
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide
SMILESCN(C)CCC(O)(c1ccc(F)cc1)c1ccc(C(N)=O)cc1CO
InChIInChI=1S/C19H23FN2O3/c1-22(2)10-9-19(25,15-4-6-16(20)7-5-15)17-8-3-13(18(21)24)11-14(17)12-23/h3-8,11,23,25H,9-10,12H2,1-2H3,(H2,21,24)
InChIKeyFJUYBHDWWKJCFI-UHFFFAOYSA-N
XLogP1.60
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(Z)-[amino-[4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)phenyl]methylidene]amino] hypoiodite
CID 142841206
4-[(1R)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile;4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
CID 76965636
4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile;sulfuric acid
CID 170329123
4-(dimethylamino)-1-(2-ethyl-4-methylphenyl)-1-(4-fluorophenyl)butan-1-ol
CID 59994702
4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol;oxalonitrile
CID 174662850
[5-cyano-2-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]phenyl]methyl 4-cyanobenzoate
CID 142744275
[4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(5-hydroxypentyl)phenyl]methyl acetate
CID 175256723
4-(dimethylamino)-1-(2-ethyl-4-isocyanophenyl)-1-(4-fluorophenyl)butan-1-ol
CID 58833747
CID 174593138
CID 174593138
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
chloromethane;4-fluorobenzamide
CID 158476805
[5-cyano-2-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]phenyl]methyl cyclohexanecarboxylate
CID 67006046

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide?
The IUPAC name of 4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide (CID 23599702) is 4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide.
What is the SMILES notation for 4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide?
The canonical SMILES for 4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide is CN(C)CCC(O)(c1ccc(F)cc1)c1ccc(C(N)=O)cc1CO.
What is the InChIKey of 4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide?
The InChIKey is FJUYBHDWWKJCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-22(2)10-9-19(25,15-4-6-16(20)7-5-15)17-8-3-13(18(21)24)11-14(17)12-23/h3-8,11,23,25H,9-10,12H2,1-2H3,(H2,21,24).
What are the key properties of 4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide?
4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide has a molecular weight of 346.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxypropyl]-3-(hydroxymethyl)benzamide is sourced from PubChem (CID 23599702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).