N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide

C13H18F3N3O2 — CID 107478740

IUPACN-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(CCO)CC(F)(F)F)c(N)c1
InChIInChI=1S/C13H18F3N3O2/c1-9-2-3-11(10(17)6-9)18-12(21)7-19(4-5-20)8-13(14,15)16/h2-3,6,20H,4-5,7-8,17H2,1H3,(H,18,21)
InChIKeyWNLVCRNFXSLHSG-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.37
Rot. Bonds6

About N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide

N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 107478740) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID107478740
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(CCO)CC(F)(F)F)c(N)c1
InChIInChI=1S/C13H18F3N3O2/c1-9-2-3-11(10(17)6-9)18-12(21)7-19(4-5-20)8-13(14,15)16/h2-3,6,20H,4-5,7-8,17H2,1H3,(H,18,21)
InChIKeyWNLVCRNFXSLHSG-UHFFFAOYSA-N
XLogP1.37
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.37
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

N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
N-(5-amino-2-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 107478839
N-(2-amino-4-methylphenyl)-2-[bis(cyanomethyl)amino]acetamide
CID 43375756
N-(2-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376005
3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914557
N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478609
N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61242990
N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
CID 112657351
1-(2-amino-4-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113462931
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 111103230
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
CID 107485826

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide (CID 107478740) is N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide is Cc1ccc(NC(=O)CN(CCO)CC(F)(F)F)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is WNLVCRNFXSLHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-9-2-3-11(10(17)6-9)18-12(21)7-19(4-5-20)8-13(14,15)16/h2-3,6,20H,4-5,7-8,17H2,1H3,(H,18,21).
What are the key properties of N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 305.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 107478740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).