N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide

C13H14F3NO3 — CID 84820490

IUPACN-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide
SMILESCc1cccc(NC(=O)CC2(C(F)(F)F)OCCO2)c1
InChIInChI=1S/C13H14F3NO3/c1-9-3-2-4-10(7-9)17-11(18)8-12(13(14,15)16)19-5-6-20-12/h2-4,7H,5-6,8H2,1H3,(H,17,18)
InChIKeyMQBRVKWKSZQXOB-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.63
Rot. Bonds3

About N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide

N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide (PubChem CID 84820490) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide
PubChem CID84820490
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC NameN-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide
SMILESCc1cccc(NC(=O)CC2(C(F)(F)F)OCCO2)c1
InChIInChI=1S/C13H14F3NO3/c1-9-3-2-4-10(7-9)17-11(18)8-12(13(14,15)16)19-5-6-20-12/h2-4,7H,5-6,8H2,1H3,(H,17,18)
InChIKeyMQBRVKWKSZQXOB-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide
CID 2319923
N-(3-methylphenyl)acetamide
CID 10843
2-[1-(methylamino)cyclohexyl]-N-(3-methylphenyl)acetamide
CID 65240773
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 106292026
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide (CID 84820490) is N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide is Cc1cccc(NC(=O)CC2(C(F)(F)F)OCCO2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide?
The InChIKey is MQBRVKWKSZQXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-9-3-2-4-10(7-9)17-11(18)8-12(13(14,15)16)19-5-6-20-12/h2-4,7H,5-6,8H2,1H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide?
N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide has a molecular weight of 289.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetamide is sourced from PubChem (CID 84820490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).