N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide

C13H16F3NO3 — CID 43573749

IUPACN-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO3/c1-9(2)17(7-8-18)12(19)10-3-5-11(6-4-10)20-13(14,15)16/h3-6,9,18H,7-8H2,1-2H3
InChIKeyTUTFBUCVIRRWLA-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.43
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide

N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide (PubChem CID 43573749) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide
PubChem CID43573749
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO3/c1-9(2)17(7-8-18)12(19)10-3-5-11(6-4-10)20-13(14,15)16/h3-6,9,18H,7-8H2,1-2H3
InChIKeyTUTFBUCVIRRWLA-UHFFFAOYSA-N
XLogP2.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[propan-2-yl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 119207584
N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane
CID 143270772
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
2-(4-chlorophenoxy)-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylpropanamide
CID 43573477
N,N-ditert-butyl-4-(trifluoromethoxy)benzamide
CID 59614232
N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 43573520
3-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 60988631
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688
N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55761591
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 94810071

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide (CID 43573749) is N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide is CC(C)N(CCO)C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide?
The InChIKey is TUTFBUCVIRRWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-9(2)17(7-8-18)12(19)10-3-5-11(6-4-10)20-13(14,15)16/h3-6,9,18H,7-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide?
N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide has a molecular weight of 291.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 43573749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).