N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide

C17H14F3NO2 — CID 2990264

IUPACN-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1OCCc2ccccc21
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)12-5-3-6-13(10-12)21-16(22)15-14-7-2-1-4-11(14)8-9-23-15/h1-7,10,15H,8-9H2,(H,21,22)
InChIKeyYZPYIIQRBINMCO-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.96
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide

N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 2990264) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID2990264
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC NameN-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1OCCc2ccccc21
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)12-5-3-6-13(10-12)21-16(22)15-14-7-2-1-4-11(14)8-9-23-15/h1-7,10,15H,8-9H2,(H,21,22)
InChIKeyYZPYIIQRBINMCO-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7332974
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 75431245
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 104624688
N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 115752894
(1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59536396
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176
N-(2-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 103829352

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide (CID 2990264) is N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1OCCc2ccccc21.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is YZPYIIQRBINMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c18-17(19,20)12-5-3-6-13(10-12)21-16(22)15-14-7-2-1-4-11(14)8-9-23-15/h1-7,10,15H,8-9H2,(H,21,22).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 2990264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).