N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide

C18H18F3NO2 — CID 134838646

IUPACN-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide
SMILESCOC(CC(F)(F)F)(NC(C)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18F3NO2/c1-13(23)22-17(24-2,12-18(19,20)21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyMPIZGHSPGSNQCW-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.24
Rot. Bonds5

About N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide

N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide (PubChem CID 134838646) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide
PubChem CID134838646
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide
SMILESCOC(CC(F)(F)F)(NC(C)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18F3NO2/c1-13(23)22-17(24-2,12-18(19,20)21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyMPIZGHSPGSNQCW-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 51082979
N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide
CID 134838437
N-[3,3,3-trifluoro-1-methoxy-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 134838892
N-[1-(4-cyanophenyl)-3,3,3-trifluoro-1-methoxypropyl]acetamide
CID 134858793
N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide
CID 134858821
N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide
CID 134858881
N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide
CID 138966445
2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide
CID 139123771
benzyl N-[(1S)-2,2,3,3-tetrafluoro-1-(4-methylphenyl)pent-4-enyl]carbamate
CID 178251672
2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide
CID 10669754
N-(3,3-diphenyl-3-methoxypropyl)-trifluoroacetamide
CID 21534186
1-Phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 57100097

Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide?
The IUPAC name of N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide (CID 134838646) is N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide.
What is the SMILES notation for N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide?
The canonical SMILES for N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide is COC(CC(F)(F)F)(NC(C)=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide?
The InChIKey is MPIZGHSPGSNQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-13(23)22-17(24-2,12-18(19,20)21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide?
N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide is sourced from PubChem (CID 134838646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).