4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide

C10H8F6N2O — CID 62153422

IUPAC4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)NCC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F6N2O/c11-9(12,13)4-18-8(19)5-1-2-7(17)6(3-5)10(14,15)16/h1-3H,4,17H2,(H,18,19)
InChIKeyQOOKGTASSAWKAR-UHFFFAOYSA-N
MW286.18 g/mol
LogP2.58
Rot. Bonds2

About 4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide

4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide (PubChem CID 62153422) has the molecular formula C10H8F6N2O and a molecular weight of 286.18 g/mol. Its IUPAC name is 4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
PubChem CID62153422
Molecular FormulaC10H8F6N2O
Molecular Weight286.18 g/mol
Exact Mass286.05
IUPAC Name4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)NCC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F6N2O/c11-9(12,13)4-18-8(19)5-1-2-7(17)6(3-5)10(14,15)16/h1-3H,4,17H2,(H,18,19)
InChIKeyQOOKGTASSAWKAR-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.58
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-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
4-amino-N-(4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 63004218
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 63247780
4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62160253
4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide
CID 63707294
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-amino-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62155637
4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62154697
4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide
CID 62160495
4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide
CID 62199911

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide (CID 62153422) is 4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide is Nc1ccc(C(=O)NCC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is QOOKGTASSAWKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O/c11-9(12,13)4-18-8(19)5-1-2-7(17)6(3-5)10(14,15)16/h1-3H,4,17H2,(H,18,19).
What are the key properties of 4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide?
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 286.18 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62153422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).