N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide

C17H15F4NO3 — CID 18227017

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C17H15F4NO3/c1-10(12-5-8-15(24-2)14(18)9-12)22-16(23)11-3-6-13(7-4-11)25-17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeySMMBDWTXWDJGFN-UHFFFAOYSA-N
MW357.30 g/mol
LogP4.22
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 18227017) has the molecular formula C17H15F4NO3 and a molecular weight of 357.30 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID18227017
Molecular FormulaC17H15F4NO3
Molecular Weight357.30 g/mol
Exact Mass357.10
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C17H15F4NO3/c1-10(12-5-8-15(24-2)14(18)9-12)22-16(23)11-3-6-13(7-4-11)25-17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeySMMBDWTXWDJGFN-UHFFFAOYSA-N
XLogP4.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18097068
4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 51214323
2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46423703
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 26111659
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide (CID 18227017) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide is COc1ccc(C(C)NC(=O)c2ccc(OC(F)(F)F)cc2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is SMMBDWTXWDJGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO3/c1-10(12-5-8-15(24-2)14(18)9-12)22-16(23)11-3-6-13(7-4-11)25-17(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 357.30 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 18227017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).