N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide

C24H24ClFN2O — CID 129088634

IUPACN-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3c(F)cccc23)CC1
InChIInChI=1S/C24H24ClFN2O/c1-15(24(29)28-19-11-9-18(25)10-12-19)16-5-7-17(8-6-16)20-13-14-27-23-21(20)3-2-4-22(23)26/h2-4,9-17H,5-8H2,1H3,(H,28,29)
InChIKeyRWANIWZZMZDXPS-UHFFFAOYSA-N
MW410.92 g/mol
LogP6.58
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide

N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 129088634) has the molecular formula C24H24ClFN2O and a molecular weight of 410.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide
PubChem CID129088634
Molecular FormulaC24H24ClFN2O
Molecular Weight410.92 g/mol
Exact Mass410.16
IUPAC NameN-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3c(F)cccc23)CC1
InChIInChI=1S/C24H24ClFN2O/c1-15(24(29)28-19-11-9-18(25)10-12-19)16-5-7-17(8-6-16)20-13-14-27-23-21(20)3-2-4-22(23)26/h2-4,9-17H,5-8H2,1H3,(H,28,29)
InChIKeyRWANIWZZMZDXPS-UHFFFAOYSA-N
XLogP6.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide
CID 138490241
[4-[4-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]cyclohexyl]quinolin-6-yl]-diphenylsulfanium
CID 153431284
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide
CID 155416395
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175788054
N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide
CID 138490234
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333237
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333236
(2R)-N-(3,4-dichlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;methyl 3-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]benzoate
CID 130200424
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 129088634) is N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3c(F)cccc23)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The InChIKey is RWANIWZZMZDXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O/c1-15(24(29)28-19-11-9-18(25)10-12-19)16-5-7-17(8-6-16)20-13-14-27-23-21(20)3-2-4-22(23)26/h2-4,9-17H,5-8H2,1H3,(H,28,29).
What are the key properties of N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide?
N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 410.92 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 129088634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).