N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide

C12H16F2N2O2 — CID 107481586

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-15-10-5-3-2-4-9(10)12(18)16(6-7-17)8-11(13)14/h2-5,11,15,17H,6-8H2,1H3
InChIKeyPUEQMVAXNUNMGM-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.43
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide (PubChem CID 107481586) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
PubChem CID107481586
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-15-10-5-3-2-4-9(10)12(18)16(6-7-17)8-11(13)14/h2-5,11,15,17H,6-8H2,1H3
InChIKeyPUEQMVAXNUNMGM-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486304
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 107486032
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009
N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 61377482
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide
CID 107486050
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide
CID 107482532
N-ethyl-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 79469822
N-(2,2-difluoroethyl)-2,3-difluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107479235
N-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 61377480
N-butyl-N-ethyl-2-(methylamino)benzamide
CID 61377458
5-chloro-N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486316
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107486313

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide (CID 107481586) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide is CNc1ccccc1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide?
The InChIKey is PUEQMVAXNUNMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-15-10-5-3-2-4-9(10)12(18)16(6-7-17)8-11(13)14/h2-5,11,15,17H,6-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide has a molecular weight of 258.27 g/mol, XLogP of 1.43, 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)-2-(methylamino)benzamide is sourced from PubChem (CID 107481586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).