4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide

C12H15F3N2O3 — CID 62160495

IUPAC4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)N(CCO)CCO)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)9-7-8(1-2-10(9)16)11(20)17(3-5-18)4-6-19/h1-2,7,18-19H,3-6,16H2
InChIKeyJVTUCEUADTXENP-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.71
Rot. Bonds5

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

4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide (PubChem CID 62160495) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide
PubChem CID62160495
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)N(CCO)CCO)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)9-7-8(1-2-10(9)16)11(20)17(3-5-18)4-6-19/h1-2,7,18-19H,3-6,16H2
InChIKeyJVTUCEUADTXENP-UHFFFAOYSA-N
XLogP0.71
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide
CID 94810814
2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
CID 61244638
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide
CID 64521049
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide
CID 62154997
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 63862980
4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62156411
4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
CID 103957673
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide (CID 62160495) is 4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide is Nc1ccc(C(=O)N(CCO)CCO)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is JVTUCEUADTXENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)9-7-8(1-2-10(9)16)11(20)17(3-5-18)4-6-19/h1-2,7,18-19H,3-6,16H2.
What are the key properties of 4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide?
4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 292.26 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62160495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).