N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide

C17H16F3NO2 — CID 155530519

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(CCNC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3NO2/c1-23-15-7-2-4-12(10-15)8-9-21-16(22)13-5-3-6-14(11-13)17(18,19)20/h2-7,10-11H,8-9H2,1H3,(H,21,22)
InChIKeyXMWVCRMCWRESGX-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide

N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 155530519) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID155530519
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(CCNC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3NO2/c1-23-15-7-2-4-12(10-15)8-9-21-16(22)13-5-3-6-14(11-13)17(18,19)20/h2-7,10-11H,8-9H2,1H3,(H,21,22)
InChIKeyXMWVCRMCWRESGX-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78796629
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
1-(3-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]thiourea
CID 3596467

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide (CID 155530519) is N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide is COc1cccc(CCNC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is XMWVCRMCWRESGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-23-15-7-2-4-12(10-15)8-9-21-16(22)13-5-3-6-14(11-13)17(18,19)20/h2-7,10-11H,8-9H2,1H3,(H,21,22).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 323.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155530519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).