N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide

C21H23F2NO2 — CID 3833011

IUPACN-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESCC1(C)CC(N(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)CCO1
InChIInChI=1S/C21H23F2NO2/c1-21(2)13-19(11-12-26-21)24(14-15-3-7-17(22)8-4-15)20(25)16-5-9-18(23)10-6-16/h3-10,19H,11-14H2,1-2H3
InChIKeyJNHUNKDPMNOMAS-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.56
Rot. Bonds4

About N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide

N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 3833011) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID3833011
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESCC1(C)CC(N(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)CCO1
InChIInChI=1S/C21H23F2NO2/c1-21(2)13-19(11-12-26-21)24(14-15-3-7-17(22)8-4-15)20(25)16-5-9-18(23)10-6-16/h3-10,19H,11-14H2,1-2H3
InChIKeyJNHUNKDPMNOMAS-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide (CID 3833011) is N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide is CC1(C)CC(N(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is JNHUNKDPMNOMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c1-21(2)13-19(11-12-26-21)24(14-15-3-7-17(22)8-4-15)20(25)16-5-9-18(23)10-6-16/h3-10,19H,11-14H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 359.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 3833011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).