2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

C16H21F3N2O3 — CID 120890029

IUPAC2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccc(F)cc2OC(F)F)CCNCC1
InChIInChI=1S/C16H21F3N2O3/c1-23-10-16(4-6-20-7-5-16)9-21-14(22)12-3-2-11(17)8-13(12)24-15(18)19/h2-3,8,15,20H,4-7,9-10H2,1H3,(H,21,22)
InChIKeyNBXXMVQYKOWMPU-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.17
Rot. Bonds7

About 2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 120890029) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
PubChem CID120890029
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccc(F)cc2OC(F)F)CCNCC1
InChIInChI=1S/C16H21F3N2O3/c1-23-10-16(4-6-20-7-5-16)9-21-14(22)12-3-2-11(17)8-13(12)24-15(18)19/h2-3,8,15,20H,4-7,9-10H2,1H3,(H,21,22)
InChIKeyNBXXMVQYKOWMPU-UHFFFAOYSA-N
XLogP2.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Flecainide
CID 3356
Flecainide Acetate
CID 41022
R-(-)-Flecainide
CID 6603850
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (CID 120890029) is 2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is COCC1(CNC(=O)c2ccc(F)cc2OC(F)F)CCNCC1.
What is the InChIKey of 2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is NBXXMVQYKOWMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-23-10-16(4-6-20-7-5-16)9-21-14(22)12-3-2-11(17)8-13(12)24-15(18)19/h2-3,8,15,20H,4-7,9-10H2,1H3,(H,21,22).
What are the key properties of 2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 346.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 120890029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).