2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide

C14H17F4NO2 — CID 82942832

IUPAC2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
SMILESCOCCN(C(=O)c1cc(C(F)(F)F)ccc1F)C(C)C
InChIInChI=1S/C14H17F4NO2/c1-9(2)19(6-7-21-3)13(20)11-8-10(14(16,17)18)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3
InChIKeyXLVVZJNENWWGMT-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.34
Rot. Bonds5

About 2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide

2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide (PubChem CID 82942832) has the molecular formula C14H17F4NO2 and a molecular weight of 307.29 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
PubChem CID82942832
Molecular FormulaC14H17F4NO2
Molecular Weight307.29 g/mol
Exact Mass307.12
IUPAC Name2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
SMILESCOCCN(C(=O)c1cc(C(F)(F)F)ccc1F)C(C)C
InChIInChI=1S/C14H17F4NO2/c1-9(2)19(6-7-21-3)13(20)11-8-10(14(16,17)18)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3
InChIKeyXLVVZJNENWWGMT-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
2-bromo-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951741
2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 82991096
2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 106183145
5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide
CID 82939321
2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951561
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-1-one
CID 18795518
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 115771373
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide (CID 82942832) is 2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide is COCCN(C(=O)c1cc(C(F)(F)F)ccc1F)C(C)C.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide?
The InChIKey is XLVVZJNENWWGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO2/c1-9(2)19(6-7-21-3)13(20)11-8-10(14(16,17)18)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide?
2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide has a molecular weight of 307.29 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 82942832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).