5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide

C17H17F3N2O2 — CID 146622236

IUPAC5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCNc1ccc(OC)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H17F3N2O2/c1-3-21-12-7-8-15(24-2)14(10-12)16(23)22-13-6-4-5-11(9-13)17(18,19)20/h4-10,21H,3H2,1-2H3,(H,22,23)
InChIKeyRPFIRSMQFAYWSD-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.40
Rot. Bonds5

About 5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide

5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 146622236) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID146622236
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCNc1ccc(OC)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H17F3N2O2/c1-3-21-12-7-8-15(24-2)14(10-12)16(23)22-13-6-4-5-11(9-13)17(18,19)20/h4-10,21H,3H2,1-2H3,(H,22,23)
InChIKeyRPFIRSMQFAYWSD-UHFFFAOYSA-N
XLogP4.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58829955
4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18892400
[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 17362444
N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108955782
3-iodo-4-methoxy-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43878187
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 141401916
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 146622236) is 5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide is CCNc1ccc(OC)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RPFIRSMQFAYWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-3-21-12-7-8-15(24-2)14(10-12)16(23)22-13-6-4-5-11(9-13)17(18,19)20/h4-10,21H,3H2,1-2H3,(H,22,23).
What are the key properties of 5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 338.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 146622236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).