(1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide

C17H23F2NO3 — CID 124874507

IUPAC(1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(O[C@H](C)CNC(=O)[C@@H]2CCCC(F)(F)C2)cc1
InChIInChI=1S/C17H23F2NO3/c1-12(23-15-7-5-14(22-2)6-8-15)11-20-16(21)13-4-3-9-17(18,19)10-13/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21)/t12-,13-/m1/s1
InChIKeyDLNGWMGHUPFFPG-CHWSQXEVSA-N
MW327.37 g/mol
LogP3.40
Rot. Bonds6

About (1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide

(1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide (PubChem CID 124874507) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is (1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
PubChem CID124874507
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name(1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(O[C@H](C)CNC(=O)[C@@H]2CCCC(F)(F)C2)cc1
InChIInChI=1S/C17H23F2NO3/c1-12(23-15-7-5-14(22-2)6-8-15)11-20-16(21)13-4-3-9-17(18,19)10-13/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21)/t12-,13-/m1/s1
InChIKeyDLNGWMGHUPFFPG-CHWSQXEVSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3,3-difluoro-N-[(2S)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 124874517
4-[2-(4-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672729
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
CID 114215515
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
CID 51094307
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789
N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119804506
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120622626
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900
9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991264
1-amino-N-[2-(4-fluorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119335506

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide?
The IUPAC name of (1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide (CID 124874507) is (1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide is COc1ccc(O[C@H](C)CNC(=O)[C@@H]2CCCC(F)(F)C2)cc1.
What is the InChIKey of (1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide?
The InChIKey is DLNGWMGHUPFFPG-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H23F2NO3/c1-12(23-15-7-5-14(22-2)6-8-15)11-20-16(21)13-4-3-9-17(18,19)10-13/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21)/t12-,13-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide?
(1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 124874507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).