N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide

C24H27ClN2O — CID 155416395

IUPACN-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3c2CCC=C3)CC1
InChIInChI=1S/C24H27ClN2O/c1-16(24(28)27-20-12-10-19(25)11-13-20)17-6-8-18(9-7-17)21-14-15-26-23-5-3-2-4-22(21)23/h3,5,10-18H,2,4,6-9H2,1H3,(H,27,28)
InChIKeyAJIGDSYPWGECLZ-UHFFFAOYSA-N
MW394.95 g/mol
LogP6.24
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide

N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 155416395) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide
PubChem CID155416395
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC NameN-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3c2CCC=C3)CC1
InChIInChI=1S/C24H27ClN2O/c1-16(24(28)27-20-12-10-19(25)11-13-20)17-6-8-18(9-7-17)21-14-15-26-23-5-3-2-4-22(21)23/h3,5,10-18H,2,4,6-9H2,1H3,(H,27,28)
InChIKeyAJIGDSYPWGECLZ-UHFFFAOYSA-N
XLogP6.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 56.24
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
N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 129088634
N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide
CID 138490234
[4-[4-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]cyclohexyl]quinolin-6-yl]-diphenylsulfanium
CID 153431284
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175788054
(2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide
CID 162028451
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide (CID 155416395) is N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3c2CCC=C3)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide?
The InChIKey is AJIGDSYPWGECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O/c1-16(24(28)27-20-12-10-19(25)11-13-20)17-6-8-18(9-7-17)21-14-15-26-23-5-3-2-4-22(21)23/h3,5,10-18H,2,4,6-9H2,1H3,(H,27,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide?
N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 394.95 g/mol, XLogP of 6.24, 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-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 155416395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).