N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide

C16H20F3NO3 — CID 110125899

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
SMILESCO[C@@H]1CCCC[C@@H](NC(=O)c2ccccc2C(F)(F)F)[C@H]1O
InChIInChI=1S/C16H20F3NO3/c1-23-13-9-5-4-8-12(14(13)21)20-15(22)10-6-2-3-7-11(10)16(17,18)19/h2-3,6-7,12-14,21H,4-5,8-9H2,1H3,(H,20,22)/t12-,13-,14-/m1/s1
InChIKeyZYEKSQGYZXBTBA-MGPQQGTHSA-N
MW331.33 g/mol
LogP2.75
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide (PubChem CID 110125899) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
PubChem CID110125899
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
SMILESCO[C@@H]1CCCC[C@@H](NC(=O)c2ccccc2C(F)(F)F)[C@H]1O
InChIInChI=1S/C16H20F3NO3/c1-23-13-9-5-4-8-12(14(13)21)20-15(22)10-6-2-3-7-11(10)16(17,18)19/h2-3,6-7,12-14,21H,4-5,8-9H2,1H3,(H,20,22)/t12-,13-,14-/m1/s1
InChIKeyZYEKSQGYZXBTBA-MGPQQGTHSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 74883319
2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
CID 110125479
cis-methyl (1R,2S)-2-[[2-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylate
CID 97029827
2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
CID 110125150
N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 106366776
N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 125465080
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide
CID 97006278
2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 114344265
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 110125559

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide (CID 110125899) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide is CO[C@@H]1CCCC[C@@H](NC(=O)c2ccccc2C(F)(F)F)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZYEKSQGYZXBTBA-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-23-13-9-5-4-8-12(14(13)21)20-15(22)10-6-2-3-7-11(10)16(17,18)19/h2-3,6-7,12-14,21H,4-5,8-9H2,1H3,(H,20,22)/t12-,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide has a molecular weight of 331.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 110125899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).