N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide

C19H22F2N2O2 — CID 111335508

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H22F2N2O2/c1-19(25,16-9-8-15(20)10-17(16)21)12-22-18(24)14-6-4-13(5-7-14)11-23(2)3/h4-10,25H,11-12H2,1-3H3,(H,22,24)
InChIKeyGZDDJAKYUSVBIO-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide (PubChem CID 111335508) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
PubChem CID111335508
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H22F2N2O2/c1-19(25,16-9-8-15(20)10-17(16)21)12-22-18(24)14-6-4-13(5-7-14)11-23(2)3/h4-10,25H,11-12H2,1-3H3,(H,22,24)
InChIKeyGZDDJAKYUSVBIO-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide
CID 111335304
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 111519728
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 139001218
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
CID 111335366
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111335461
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide (CID 111335508) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide is CN(C)Cc1ccc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide?
The InChIKey is GZDDJAKYUSVBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-19(25,16-9-8-15(20)10-17(16)21)12-22-18(24)14-6-4-13(5-7-14)11-23(2)3/h4-10,25H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide has a molecular weight of 348.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 111335508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).