N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C12H14F3NO3 — CID 103857335

IUPACN-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-19-10-4-2-3-9(7-10)11(18)16(5-6-17)8-12(13,14)15/h2-4,7,17H,5-6,8H2,1H3
InChIKeyAJMLISQELDVZCB-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.69
Rot. Bonds5

About N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide

N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 103857335) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID103857335
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-19-10-4-2-3-9(7-10)11(18)16(5-6-17)8-12(13,14)15/h2-4,7,17H,5-6,8H2,1H3
InChIKeyAJMLISQELDVZCB-UHFFFAOYSA-N
XLogP1.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N,N-dipropylbenzamide
CID 669439
N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493616
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973
2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 103857495
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-benzodioxole-5-carboxamide
CID 103857432
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103857359

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 103857335) is N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide is COc1cccc(C(=O)N(CCO)CC(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AJMLISQELDVZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-19-10-4-2-3-9(7-10)11(18)16(5-6-17)8-12(13,14)15/h2-4,7,17H,5-6,8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 277.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 103857335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).