N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide

C19H18F3NO2 — CID 90635671

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO2/c1-23(11-17-10-14-4-2-3-5-15(14)12-25-17)18(24)13-6-8-16(9-7-13)19(20,21)22/h2-9,17H,10-12H2,1H3
InChIKeyPFSMBRLUROQZHS-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.92
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 90635671) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID90635671
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO2/c1-23(11-17-10-14-4-2-3-5-15(14)12-25-17)18(24)13-6-8-16(9-7-13)19(20,21)22/h2-9,17H,10-12H2,1H3
InChIKeyPFSMBRLUROQZHS-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-3-(trifluoromethoxy)benzamide
CID 90635820
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91626554
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2,1,3-benzothiadiazole-5-carboxamide
CID 90635760
2-chloro-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methylbenzamide
CID 90635647
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 90635847
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide
CID 90635601
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 110710533
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-propylurea
CID 90635908
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 100752197
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2,2-diphenylacetamide
CID 90635704
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 91626560
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-N-methyl-1,3-benzothiazole-2-carboxamide
CID 100752083

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide (CID 90635671) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide is CN(CC1Cc2ccccc2CO1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is PFSMBRLUROQZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-23(11-17-10-14-4-2-3-5-15(14)12-25-17)18(24)13-6-8-16(9-7-13)19(20,21)22/h2-9,17H,10-12H2,1H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 349.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90635671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).