N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide

C18H18F3NO2 — CID 14405584

IUPACN-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)COc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2/c1-12(2)11-24-16-9-4-3-8-15(16)22-17(23)13-6-5-7-14(10-13)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyFGOPBRHUFXPMLS-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.99
Rot. Bonds5

About N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide

N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 14405584) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID14405584
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)COc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2/c1-12(2)11-24-16-9-4-3-8-15(16)22-17(23)13-6-5-7-14(10-13)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyFGOPBRHUFXPMLS-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
3-butoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074307
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 134110162
3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167969
4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 60927264
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55991701

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide (CID 14405584) is N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide is CC(C)COc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FGOPBRHUFXPMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-12(2)11-24-16-9-4-3-8-15(16)22-17(23)13-6-5-7-14(10-13)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide?
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 337.34 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 14405584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).