N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide

C13H18F2N2O2 — CID 107486050

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)N(CCO)CC(F)F)cc1C
InChIInChI=1S/C13H18F2N2O2/c1-9-7-10(3-4-11(9)16-2)13(19)17(5-6-18)8-12(14)15/h3-4,7,12,16,18H,5-6,8H2,1-2H3
InChIKeyYHGZLPHHQVTDRI-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.74
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide (PubChem CID 107486050) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide
PubChem CID107486050
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)N(CCO)CC(F)F)cc1C
InChIInChI=1S/C13H18F2N2O2/c1-9-7-10(3-4-11(9)16-2)13(19)17(5-6-18)8-12(14)15/h3-4,7,12,16,18H,5-6,8H2,1-2H3
InChIKeyYHGZLPHHQVTDRI-UHFFFAOYSA-N
XLogP1.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 107481586
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
N,3-dimethyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 63213774
N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide
CID 107479214
N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
CID 55162088
N,3-dimethyl-4-(methylamino)-N-(2-methylpropyl)benzamide
CID 63210523
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 107486032
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
CID 63213768
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 78925719
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107486289
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-2-(propylamino)benzamide
CID 107486049
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 107486059

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide (CID 107486050) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide is CNc1ccc(C(=O)N(CCO)CC(F)F)cc1C.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide?
The InChIKey is YHGZLPHHQVTDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-9-7-10(3-4-11(9)16-2)13(19)17(5-6-18)8-12(14)15/h3-4,7,12,16,18H,5-6,8H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide has a molecular weight of 272.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 107486050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).