2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide

C21H21F3N2O4 — CID 112500121

IUPAC2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)NC2CCNC(=O)C2)c(C)c1
InChIInChI=1S/C21H21F3N2O4/c1-12-9-15(29-2)4-6-17(12)30-18-5-3-13(21(22,23)24)10-16(18)20(28)26-14-7-8-25-19(27)11-14/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeySQECQDAJTXAETQ-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.82
Rot. Bonds5

About 2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide

2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide (PubChem CID 112500121) has the molecular formula C21H21F3N2O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
PubChem CID112500121
Molecular FormulaC21H21F3N2O4
Molecular Weight422.40 g/mol
Exact Mass422.15
IUPAC Name2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)NC2CCNC(=O)C2)c(C)c1
InChIInChI=1S/C21H21F3N2O4/c1-12-9-15(29-2)4-6-17(12)30-18-5-3-13(21(22,23)24)10-16(18)20(28)26-14-7-8-25-19(27)11-14/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeySQECQDAJTXAETQ-UHFFFAOYSA-N
XLogP3.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
CID 112500113
2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500065
2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500174
4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide
CID 112500169
2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide
CID 112500190
4-methoxy-N-(2-oxoazepan-4-yl)benzamide
CID 19090438
N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide
CID 126636503
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
CID 18648125
2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106179800
methyl 2-(4-methoxy-2-methylanilino)-5-(trifluoromethyl)benzoate
CID 155452822
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide (CID 112500121) is 2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide is COc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)NC2CCNC(=O)C2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is SQECQDAJTXAETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O4/c1-12-9-15(29-2)4-6-17(12)30-18-5-3-13(21(22,23)24)10-16(18)20(28)26-14-7-8-25-19(27)11-14/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 422.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).