N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide

C16H12F3NO3 — CID 110752701

IUPACN-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H12F3NO3/c1-20(12-6-7-13-14(8-12)23-9-22-13)15(21)10-2-4-11(5-3-10)16(17,18)19/h2-8H,9H2,1H3
InChIKeyLIWOCNHXYAOVRW-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.71
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide

N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 110752701) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID110752701
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H12F3NO3/c1-20(12-6-7-13-14(8-12)23-9-22-13)15(21)10-2-4-11(5-3-10)16(17,18)19/h2-8H,9H2,1H3
InChIKeyLIWOCNHXYAOVRW-UHFFFAOYSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 28894383
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
CID 110752658
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42456370
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99714193
(E)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
CID 51045627
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947
N-(1,3-benzodioxol-5-yl)-3-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]-N-methylbenzamide
CID 142428953
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide
CID 22245929
N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 70618728
4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane
CID 143188892
N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
CID 69228367

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide (CID 110752701) is N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide is CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is LIWOCNHXYAOVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3/c1-20(12-6-7-13-14(8-12)23-9-22-13)15(21)10-2-4-11(5-3-10)16(17,18)19/h2-8H,9H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide?
N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 323.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110752701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).