2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide

C21H17F7N2O3 — CID 112500205

IUPAC2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C21H17F7N2O3/c1-10-6-12(22)2-3-15(10)33-16-8-11(20(23,24)25)7-14(21(26,27)28)18(16)19(32)30-13-4-5-29-17(31)9-13/h2-3,6-8,13H,4-5,9H2,1H3,(H,29,31)(H,30,32)
InChIKeyVCWWMDGPCGMXJS-UHFFFAOYSA-N
MW478.36 g/mol
LogP4.97
Rot. Bonds4

About 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide

2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide (PubChem CID 112500205) has the molecular formula C21H17F7N2O3 and a molecular weight of 478.36 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide
PubChem CID112500205
Molecular FormulaC21H17F7N2O3
Molecular Weight478.36 g/mol
Exact Mass478.11
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C21H17F7N2O3/c1-10-6-12(22)2-3-15(10)33-16-8-11(20(23,24)25)7-14(21(26,27)28)18(16)19(32)30-13-4-5-29-17(31)9-13/h2-3,6-8,13H,4-5,9H2,1H3,(H,29,31)(H,30,32)
InChIKeyVCWWMDGPCGMXJS-UHFFFAOYSA-N
XLogP4.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.36
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
GT-0198
CID 71584823
N-cyclohexyl-3-methoxynaphthalene-2-carboxamide
CID 2571368
N-(1-benzyl-4-piperidinyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 2738398
N-(1-benzylpiperidin-4-yl)-2-ethoxybenzamide
CID 8181355
N,N-Diethyl-2-methyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)-benzamide
CID 44254062
N,N-Diethyl-3-methyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)-benzamide
CID 44254063
N,N-Diethyl-2-fluoro-4-(spiro[chromene-2,4''-piperidine]-4-yl)-benzamide
CID 44255044
N,N-Diethyl-3-fluoro-4-(spiro[chromene-2,4''-piperidine]-4-yl)-benzamide
CID 44255045
N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide
CID 46848591
N-[1-(cyclopropylmethyl)-3-phenylpiperidin-3-yl]-2-methoxy-4,6-bis(trifluoromethyl)benzamide
CID 46848592
Rac-2-methoxy-n-(1-methyl-3-phenyl-piperidin-3-yl)-4,6-bis-trifluoromethyl-benzamide
CID 46849923

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide (CID 112500205) is 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide is Cc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1CCNC(=O)C1.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is VCWWMDGPCGMXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F7N2O3/c1-10-6-12(22)2-3-15(10)33-16-8-11(20(23,24)25)7-14(21(26,27)28)18(16)19(32)30-13-4-5-29-17(31)9-13/h2-3,6-8,13H,4-5,9H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide?
2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 478.36 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 112500205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).