(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide

C24H24ClFN2O2 — CID 121328261

IUPAC(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)C1CCC(O)(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H24ClFN2O2/c1-15(23(29)28-19-5-2-17(25)3-6-19)16-8-11-24(30,12-9-16)21-10-13-27-22-7-4-18(26)14-20(21)22/h2-7,10,13-16,30H,8-9,11-12H2,1H3,(H,28,29)/t15-,16?,24?/m1/s1
InChIKeyADDYCRSBNYACBT-MAXOOXIKSA-N
MW426.92 g/mol
LogP5.68
Rot. Bonds4

About (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide

(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide (PubChem CID 121328261) has the molecular formula C24H24ClFN2O2 and a molecular weight of 426.92 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide
PubChem CID121328261
Molecular FormulaC24H24ClFN2O2
Molecular Weight426.92 g/mol
Exact Mass426.15
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)C1CCC(O)(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H24ClFN2O2/c1-15(23(29)28-19-5-2-17(25)3-6-19)16-8-11-24(30,12-9-16)21-10-13-27-22-7-4-18(26)14-20(21)22/h2-7,10,13-16,30H,8-9,11-12H2,1H3,(H,28,29)/t15-,16?,24?/m1/s1
InChIKeyADDYCRSBNYACBT-MAXOOXIKSA-N
XLogP5.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.92
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide
CID 145078404
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
(2R)-N-(4-chlorophenyl)-2-[(1R,4R)-4-(6-fluoroquinolin-4-yl)cyclohex-2-en-1-yl]propanamide
CID 134823837
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175788054
2-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide;(2S)-2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide;(2R)-2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide;2-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 161361633
N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide
CID 130219664
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
[4-[4-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]cyclohexyl]quinolin-6-yl]-diphenylsulfanium
CID 153431284
5-chloro-2-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoylamino]benzamide
CID 166746623
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333237

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide (CID 121328261) is (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cc1)C1CCC(O)(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide?
The InChIKey is ADDYCRSBNYACBT-MAXOOXIKSA-N. The full InChI is InChI=1S/C24H24ClFN2O2/c1-15(23(29)28-19-5-2-17(25)3-6-19)16-8-11-24(30,12-9-16)21-10-13-27-22-7-4-18(26)14-20(21)22/h2-7,10,13-16,30H,8-9,11-12H2,1H3,(H,28,29)/t15-,16?,24?/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide?
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide has a molecular weight of 426.92 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide is sourced from PubChem (CID 121328261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).