N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C16H22F2N2O3 — CID 96570042

IUPACN-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCN(C)CCN(C[C@@H]1CCCO1)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C16H22F2N2O3/c1-19(2)5-6-20(10-12-4-3-7-23-12)16(22)15-13(18)8-11(17)9-14(15)21/h8-9,12,21H,3-7,10H2,1-2H3/t12-/m0/s1
InChIKeyMTHWERQQTNANHT-LBPRGKRZSA-N
MW328.36 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide

N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 96570042) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID96570042
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCN(C)CCN(C[C@@H]1CCCO1)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C16H22F2N2O3/c1-19(2)5-6-20(10-12-4-3-7-23-12)16(22)15-13(18)8-11(17)9-14(15)21/h8-9,12,21H,3-7,10H2,1-2H3/t12-/m0/s1
InChIKeyMTHWERQQTNANHT-LBPRGKRZSA-N
XLogP1.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 71980640
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 97127632
N-[2-(dimethylamino)ethyl]-2-fluoro-4-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95334225
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96574907
N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95301857
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 63185072
4-cyano-N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 77095173
N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74236420

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 96570042) is N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1c(O)cc(F)cc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is MTHWERQQTNANHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-19(2)5-6-20(10-12-4-3-7-23-12)16(22)15-13(18)8-11(17)9-14(15)21/h8-9,12,21H,3-7,10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 328.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 96570042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).