N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide

C21H24ClFN2O — CID 138490241

IUPACN-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide
SMILESCc1c(C2CCC(C(C)C(=O)Nc3ccc(Cl)cc3)CC2)ccnc1F
InChIInChI=1S/C21H24ClFN2O/c1-13(21(26)25-18-9-7-17(22)8-10-18)15-3-5-16(6-4-15)19-11-12-24-20(23)14(19)2/h7-13,15-16H,3-6H2,1-2H3,(H,25,26)
InChIKeyOBMKGNJAQRDJGW-UHFFFAOYSA-N
MW374.89 g/mol
LogP5.73
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide

N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide (PubChem CID 138490241) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide
PubChem CID138490241
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC NameN-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide
SMILESCc1c(C2CCC(C(C)C(=O)Nc3ccc(Cl)cc3)CC2)ccnc1F
InChIInChI=1S/C21H24ClFN2O/c1-13(21(26)25-18-9-7-17(22)8-10-18)15-3-5-16(6-4-15)19-11-12-24-20(23)14(19)2/h7-13,15-16H,3-6H2,1-2H3,(H,25,26)
InChIKeyOBMKGNJAQRDJGW-UHFFFAOYSA-N
XLogP5.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.89
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
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;ethane-1,2-disulfonic acid
CID 175788062
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869
[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;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175788054
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
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)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide
CID 162028451
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-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide (CID 138490241) is N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide is Cc1c(C2CCC(C(C)C(=O)Nc3ccc(Cl)cc3)CC2)ccnc1F.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide?
The InChIKey is OBMKGNJAQRDJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-13(21(26)25-18-9-7-17(22)8-10-18)15-3-5-16(6-4-15)19-11-12-24-20(23)14(19)2/h7-13,15-16H,3-6H2,1-2H3,(H,25,26).
What are the key properties of N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide?
N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide has a molecular weight of 374.89 g/mol, XLogP of 5.73, 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-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide is sourced from PubChem (CID 138490241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).