N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide

C12H16F2N2O2 — CID 110281414

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
SMILESCN(C)CC(O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-16(2)7-9(17)6-15-12(18)10-4-3-8(13)5-11(10)14/h3-5,9,17H,6-7H2,1-2H3,(H,15,18)
InChIKeyAPMSSWRNIUEPQK-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.62
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide

N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide (PubChem CID 110281414) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
PubChem CID110281414
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
SMILESCN(C)CC(O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-16(2)7-9(17)6-15-12(18)10-4-3-8(13)5-11(10)14/h3-5,9,17H,6-7H2,1-2H3,(H,15,18)
InChIKeyAPMSSWRNIUEPQK-UHFFFAOYSA-N
XLogP0.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(2,4-difluorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833479
N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide
CID 64540190
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107462
N-(2-aminopentyl)-2,4-difluorobenzamide
CID 115737778
2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide
CID 125438904
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide (CID 110281414) is N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide is CN(C)CC(O)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide?
The InChIKey is APMSSWRNIUEPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-16(2)7-9(17)6-15-12(18)10-4-3-8(13)5-11(10)14/h3-5,9,17H,6-7H2,1-2H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide?
N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide has a molecular weight of 258.27 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 110281414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).