3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide

C11H13F3N2O3 — CID 116628550

IUPAC3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide
SMILESCN(CCO)C(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C11H13F3N2O3/c1-16(4-5-17)10(18)7-2-3-9(8(15)6-7)19-11(12,13)14/h2-3,6,17H,4-5,15H2,1H3
InChIKeyYCAOVFJDRCPEGC-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.23
Rot. Bonds4

About 3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide

3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide (PubChem CID 116628550) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide
PubChem CID116628550
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide
SMILESCN(CCO)C(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C11H13F3N2O3/c1-16(4-5-17)10(18)7-2-3-9(8(15)6-7)19-11(12,13)14/h2-3,6,17H,4-5,15H2,1H3
InChIKeyYCAOVFJDRCPEGC-UHFFFAOYSA-N
XLogP1.23
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide
CID 116628476
3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 116628479
3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628590
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-4-(trifluoromethoxy)benzamide
CID 103100896
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
CID 60862359
3-amino-N-(2-methylsulfanylpropyl)-4-(trifluoromethoxy)benzamide
CID 116628993
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
3-[(3-amino-4-propoxybenzoyl)-methylamino]propanoic acid
CID 110496635
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide (CID 116628550) is 3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide is CN(CCO)C(=O)c1ccc(OC(F)(F)F)c(N)c1.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide?
The InChIKey is YCAOVFJDRCPEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-16(4-5-17)10(18)7-2-3-9(8(15)6-7)19-11(12,13)14/h2-3,6,17H,4-5,15H2,1H3.
What are the key properties of 3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide?
3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide has a molecular weight of 278.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).