N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide

C17H15F4NO2 — CID 166220547

IUPACN-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide
SMILESCCOCc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C17H15F4NO2/c1-2-24-10-11-3-6-13(7-4-11)22-16(23)12-5-8-14(15(18)9-12)17(19,20)21/h3-9H,2,10H2,1H3,(H,22,23)
InChIKeySNXACLBSLNBILH-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.63
Rot. Bonds5

About N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide

N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 166220547) has the molecular formula C17H15F4NO2 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide
PubChem CID166220547
Molecular FormulaC17H15F4NO2
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC NameN-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide
SMILESCCOCc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C17H15F4NO2/c1-2-24-10-11-3-6-13(7-4-11)22-16(23)12-5-8-14(15(18)9-12)17(19,20)21/h3-9H,2,10H2,1H3,(H,22,23)
InChIKeySNXACLBSLNBILH-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 143174015
ethyl 3-fluoro-4-(trifluoromethyl)benzoate
CID 46311389
ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate
CID 70985167
4-amino-N-(4-ethylphenyl)-3-fluorobenzamide
CID 62678871
methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
CID 60596590
N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 46261955
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
CID 62679243
2-amino-N-[4-(ethoxymethyl)phenyl]acetamide
CID 119340719
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide (CID 166220547) is N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide is CCOCc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is SNXACLBSLNBILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO2/c1-2-24-10-11-3-6-13(7-4-11)22-16(23)12-5-8-14(15(18)9-12)17(19,20)21/h3-9H,2,10H2,1H3,(H,22,23).
What are the key properties of N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide?
N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 341.30 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 166220547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).