N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide

C18H17F4NO — CID 46485625

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H17F4NO/c1-12-2-4-13(5-3-12)6-9-17(24)23-11-14-7-8-15(19)10-16(14)18(20,21)22/h2-5,7-8,10H,6,9,11H2,1H3,(H,23,24)
InChIKeyBYSAUQGNDQULDX-UHFFFAOYSA-N
MW339.33 g/mol
LogP4.40
Rot. Bonds5

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide (PubChem CID 46485625) has the molecular formula C18H17F4NO and a molecular weight of 339.33 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
PubChem CID46485625
Molecular FormulaC18H17F4NO
Molecular Weight339.33 g/mol
Exact Mass339.12
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H17F4NO/c1-12-2-4-13(5-3-12)6-9-17(24)23-11-14-7-8-15(19)10-16(14)18(20,21)22/h2-5,7-8,10H,6,9,11H2,1H3,(H,23,24)
InChIKeyBYSAUQGNDQULDX-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 46485685
3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 78876423
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55705597
2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705908
3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55708503
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 86879204
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46474561
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55705982
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 46474467
3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide
CID 60739656

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide (CID 46485625) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide?
The InChIKey is BYSAUQGNDQULDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO/c1-12-2-4-13(5-3-12)6-9-17(24)23-11-14-7-8-15(19)10-16(14)18(20,21)22/h2-5,7-8,10H,6,9,11H2,1H3,(H,23,24).
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide has a molecular weight of 339.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 46485625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).