4-amino-2-ethyl-3-(trifluoromethyl)benzamide

C10H11F3N2O — CID 174774948

IUPAC4-amino-2-ethyl-3-(trifluoromethyl)benzamide
SMILESCCc1c(C(N)=O)ccc(N)c1C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-2-5-6(9(15)16)3-4-7(14)8(5)10(11,12)13/h3-4H,2,14H2,1H3,(H2,15,16)
InChIKeyMKPUSQLDOZSTHC-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.95
Rot. Bonds2

About 4-amino-2-ethyl-3-(trifluoromethyl)benzamide

4-amino-2-ethyl-3-(trifluoromethyl)benzamide (PubChem CID 174774948) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-amino-2-ethyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-2-ethyl-3-(trifluoromethyl)benzamide
PubChem CID174774948
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name4-amino-2-ethyl-3-(trifluoromethyl)benzamide
SMILESCCc1c(C(N)=O)ccc(N)c1C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-2-5-6(9(15)16)3-4-7(14)8(5)10(11,12)13/h3-4H,2,14H2,1H3,(H2,15,16)
InChIKeyMKPUSQLDOZSTHC-UHFFFAOYSA-N
XLogP1.95
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-ethyl-3-(trifluoromethyl)benzamide;hydrochloride
CID 174774947
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
4-heptyl-2-octyl-3-(trifluoromethyl)benzamide
CID 57359737
1-[4-amino-2-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 171027981
2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 150498422
3-amino-2-ethylbenzamide;fluorobenzene
CID 174889008
2,3-diethylbenzamide;hydrofluoride
CID 175203586
4-hydroxy-2,3-bis(trifluoromethyl)benzamide
CID 118854529
1-[4-amino-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171027885
methyl 4-amino-2-chloro-3-(trifluoromethyl)benzoate
CID 131512668
2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 126655093

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-2-ethyl-3-(trifluoromethyl)benzamide (CID 174774948) is 4-amino-2-ethyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-2-ethyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-2-ethyl-3-(trifluoromethyl)benzamide is CCc1c(C(N)=O)ccc(N)c1C(F)(F)F.
What is the InChIKey of 4-amino-2-ethyl-3-(trifluoromethyl)benzamide?
The InChIKey is MKPUSQLDOZSTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-2-5-6(9(15)16)3-4-7(14)8(5)10(11,12)13/h3-4H,2,14H2,1H3,(H2,15,16).
What are the key properties of 4-amino-2-ethyl-3-(trifluoromethyl)benzamide?
4-amino-2-ethyl-3-(trifluoromethyl)benzamide has a molecular weight of 232.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 174774948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).