N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide

C18H16F3NO2 — CID 71782154

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)14-6-3-5-13(10-14)16(23)22-11-17(24)9-8-12-4-1-2-7-15(12)17/h1-7,10,24H,8-9,11H2,(H,22,23)
InChIKeyXLHLPATWAZKUAF-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.27
Rot. Bonds3

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 71782154) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID71782154
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)14-6-3-5-13(10-14)16(23)22-11-17(24)9-8-12-4-1-2-7-15(12)17/h1-7,10,24H,8-9,11H2,(H,22,23)
InChIKeyXLHLPATWAZKUAF-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
2-[2-[[3-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 1431346
N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11610826
3-[4-[[2-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 127040871
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492496
2-Ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492498
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492504
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59492517
N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide
CID 59492542
Azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492575
[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone
CID 59492586
(3-Ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492603

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide (CID 71782154) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide is O=C(NCC1(O)CCc2ccccc21)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is XLHLPATWAZKUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)14-6-3-5-13(10-14)16(23)22-11-17(24)9-8-12-4-1-2-7-15(12)17/h1-7,10,24H,8-9,11H2,(H,22,23).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 335.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71782154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).