N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C18H18F3NO2 — CID 112791829

IUPACN-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCOc1ccccc1
InChIInChI=1S/C18H18F3NO2/c1-22(13-14-7-9-15(10-8-14)18(19,20)21)17(23)11-12-24-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
InChIKeyUSDMFQHMIVUVSB-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.13
Rot. Bonds6

About N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 112791829) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID112791829
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCOc1ccccc1
InChIInChI=1S/C18H18F3NO2/c1-22(13-14-7-9-15(10-8-14)18(19,20)21)17(23)11-12-24-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
InChIKeyUSDMFQHMIVUVSB-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
4-(3-fluorophenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55929431
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
3-(2-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791757
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 112791758
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 103601917
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
4-(4-tert-butylphenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 167786860

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 112791829) is N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCOc1ccccc1.
What is the InChIKey of N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is USDMFQHMIVUVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-22(13-14-7-9-15(10-8-14)18(19,20)21)17(23)11-12-24-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3.
What are the key properties of N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 337.34 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 112791829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).