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

C20H24ClN3O — CID 138490234

IUPACN-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide
SMILESCc1nccc(C2CCC(C(C)C(=O)Nc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H24ClN3O/c1-13(20(25)24-18-9-7-17(21)8-10-18)15-3-5-16(6-4-15)19-11-12-22-14(2)23-19/h7-13,15-16H,3-6H2,1-2H3,(H,24,25)
InChIKeyWENRRIPFDIVWPV-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.99
Rot. Bonds4

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

N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide (PubChem CID 138490234) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide
PubChem CID138490234
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide
SMILESCc1nccc(C2CCC(C(C)C(=O)Nc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H24ClN3O/c1-13(20(25)24-18-9-7-17(21)8-10-18)15-3-5-16(6-4-15)19-11-12-22-14(2)23-19/h7-13,15-16H,3-6H2,1-2H3,(H,24,25)
InChIKeyWENRRIPFDIVWPV-UHFFFAOYSA-N
XLogP4.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide
CID 138490241
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869
N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 129088634
N-(4-chlorophenyl)-2-[4-(5,6-dihydroquinolin-4-yl)cyclohexyl]propanamide
CID 155416395
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651
(2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide
CID 162028451
[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
4-(2-methylpyrimidin-4-yl)cyclohexan-1-ol
CID 139330455
(2R)-2-[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 100718408
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide (CID 138490234) is N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide is Cc1nccc(C2CCC(C(C)C(=O)Nc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide?
The InChIKey is WENRRIPFDIVWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-13(20(25)24-18-9-7-17(21)8-10-18)15-3-5-16(6-4-15)19-11-12-22-14(2)23-19/h7-13,15-16H,3-6H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide?
N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide has a molecular weight of 357.89 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 138490234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).