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

C10H11F3N2O — CID 62155200

IUPAC4-amino-N-ethyl-3-(trifluoromethyl)benzamide
SMILESCCNC(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c1-2-15-9(16)6-3-4-8(14)7(5-6)10(11,12)13/h3-5H,2,14H2,1H3,(H,15,16)
InChIKeyMTKZZMWTECMVMW-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.04
Rot. Bonds2

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

4-amino-N-ethyl-3-(trifluoromethyl)benzamide (PubChem CID 62155200) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(trifluoromethyl)benzamide
PubChem CID62155200
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name4-amino-N-ethyl-3-(trifluoromethyl)benzamide
SMILESCCNC(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c1-2-15-9(16)6-3-4-8(14)7(5-6)10(11,12)13/h3-5H,2,14H2,1H3,(H,15,16)
InChIKeyMTKZZMWTECMVMW-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(trifluoromethyl)benzamide (CID 62155200) is 4-amino-N-ethyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(trifluoromethyl)benzamide is CCNC(=O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(trifluoromethyl)benzamide?
The InChIKey is MTKZZMWTECMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-2-15-9(16)6-3-4-8(14)7(5-6)10(11,12)13/h3-5H,2,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-ethyl-3-(trifluoromethyl)benzamide?
4-amino-N-ethyl-3-(trifluoromethyl)benzamide has a molecular weight of 232.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62155200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).