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

C23H22ClFN2O2 — CID 145078404

IUPACN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide
SMILESO=C(CC1CCC(O)(c2ccnc3ccc(F)cc23)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H22ClFN2O2/c24-16-1-4-18(5-2-16)27-22(28)13-15-7-10-23(29,11-8-15)20-9-12-26-21-6-3-17(25)14-19(20)21/h1-6,9,12,14-15,29H,7-8,10-11,13H2,(H,27,28)
InChIKeyNCFVRPOSZZXMIT-UHFFFAOYSA-N
MW412.89 g/mol
LogP5.43
Rot. Bonds4

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

N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide (PubChem CID 145078404) has the molecular formula C23H22ClFN2O2 and a molecular weight of 412.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide
PubChem CID145078404
Molecular FormulaC23H22ClFN2O2
Molecular Weight412.89 g/mol
Exact Mass412.14
IUPAC NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide
SMILESO=C(CC1CCC(O)(c2ccnc3ccc(F)cc23)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H22ClFN2O2/c24-16-1-4-18(5-2-16)27-22(28)13-15-7-10-23(29,11-8-15)20-9-12-26-21-6-3-17(25)14-19(20)21/h1-6,9,12,14-15,29H,7-8,10-11,13H2,(H,27,28)
InChIKeyNCFVRPOSZZXMIT-UHFFFAOYSA-N
XLogP5.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.89
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide
CID 121328261
N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide
CID 155087751
2-[(3aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155016347
N-(4-chlorophenyl)-2-(4,4-difluorocyclohexyl)acetamide
CID 121319752
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
4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one
CID 155221485
N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 155419801
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
4-chloro-N-[3-[2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonan-7-yl]pent-1-en-2-yl]aniline
CID 160704771
4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline
CID 155416442

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide (CID 145078404) is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide is O=C(CC1CCC(O)(c2ccnc3ccc(F)cc23)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide?
The InChIKey is NCFVRPOSZZXMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O2/c24-16-1-4-18(5-2-16)27-22(28)13-15-7-10-23(29,11-8-15)20-9-12-26-21-6-3-17(25)14-19(20)21/h1-6,9,12,14-15,29H,7-8,10-11,13H2,(H,27,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide?
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide has a molecular weight of 412.89 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 145078404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).