N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide

C13H16F3NO2 — CID 60655793

IUPACN-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
SMILESCCCN(CCO)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-2-6-17(7-8-18)12(19)10-4-3-5-11(9-10)13(14,15)16/h3-5,9,18H,2,6-8H2,1H3
InChIKeyPXAMBTDLHZLYNP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.55
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide

N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide (PubChem CID 60655793) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
PubChem CID60655793
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
SMILESCCCN(CCO)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-2-6-17(7-8-18)12(19)10-4-3-5-11(9-10)13(14,15)16/h3-5,9,18H,2,6-8H2,1H3
InChIKeyPXAMBTDLHZLYNP-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
N-decyl-N-ethyl-3-(trifluoromethyl)benzamide
CID 91726464
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
N-(3-bromopropyl)-N-ethyl-3-(trifluoromethyl)benzamide
CID 113469197
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide
CID 60682129
methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 61011016
1-N,3-N-dipropyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,3-dicarboxamide;hydrochloride
CID 69321298
N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 42698837
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197462
3-chloro-N,N-dipropylbenzamide
CID 669182

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide (CID 60655793) is N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide is CCCN(CCO)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide?
The InChIKey is PXAMBTDLHZLYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-6-17(7-8-18)12(19)10-4-3-5-11(9-10)13(14,15)16/h3-5,9,18H,2,6-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide?
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 60655793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).