4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide

C20H19F4NO2 — CID 60582725

IUPAC4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C20H19F4NO2/c1-13-5-6-16(12-17(13)20(22,23)24)25-18(26)19(7-9-27-10-8-19)14-3-2-4-15(21)11-14/h2-6,11-12H,7-10H2,1H3,(H,25,26)
InChIKeyLVZZIQUHJJWVCQ-UHFFFAOYSA-N
MW381.37 g/mol
LogP4.84
Rot. Bonds3

About 4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide (PubChem CID 60582725) has the molecular formula C20H19F4NO2 and a molecular weight of 381.37 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
PubChem CID60582725
Molecular FormulaC20H19F4NO2
Molecular Weight381.37 g/mol
Exact Mass381.14
IUPAC Name4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C20H19F4NO2/c1-13-5-6-16(12-17(13)20(22,23)24)25-18(26)19(7-9-27-10-8-19)14-3-2-4-15(21)11-14/h2-6,11-12H,7-10H2,1H3,(H,25,26)
InChIKeyLVZZIQUHJJWVCQ-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036
4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide
CID 51125644
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 86939769
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 60582417
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 100784364
4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide
CID 51125642
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582638
4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide (CID 60582725) is 4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide is Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The InChIKey is LVZZIQUHJJWVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4NO2/c1-13-5-6-16(12-17(13)20(22,23)24)25-18(26)19(7-9-27-10-8-19)14-3-2-4-15(21)11-14/h2-6,11-12H,7-10H2,1H3,(H,25,26).
What are the key properties of 4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide has a molecular weight of 381.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 60582725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).