3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide

C26H28ClN3O2 — CID 58449388

IUPAC3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide
SMILESCOc1ncc([C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)cc(C3CCCCC3)c2)cn1
InChIInChI=1S/C26H28ClN3O2/c1-17(23-15-28-26(32-2)29-16-23)30-25(31)22-13-20(18-6-4-3-5-7-18)12-21(14-22)19-8-10-24(27)11-9-19/h8-18H,3-7H2,1-2H3,(H,30,31)/t17-/m1/s1
InChIKeySMDBRVLGHOLWER-QGZVFWFLSA-N
MW449.98 g/mol
LogP6.34
Rot. Bonds6

About 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide

3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide (PubChem CID 58449388) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide
PubChem CID58449388
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide
SMILESCOc1ncc([C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)cc(C3CCCCC3)c2)cn1
InChIInChI=1S/C26H28ClN3O2/c1-17(23-15-28-26(32-2)29-16-23)30-25(31)22-13-20(18-6-4-3-5-7-18)12-21(14-22)19-8-10-24(27)11-9-19/h8-18H,3-7H2,1-2H3,(H,30,31)/t17-/m1/s1
InChIKeySMDBRVLGHOLWER-QGZVFWFLSA-N
XLogP6.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
CID 58449354
3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
CID 58449362
N-[(6-chloro-3-pyridinyl)methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-(2-methylpyrimidin-5-yl)ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2-methoxypyrimidin-5-yl)methyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 157444149
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68513343
5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide
CID 68779214
3-(3-cyclopentylprop-2-enylsulfonyl)-5-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 175286106
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-methylsulfonylbenzamide
CID 67053786
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426673
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426674
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
CID 58188284

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide?
The IUPAC name of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide (CID 58449388) is 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide is COc1ncc([C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)cc(C3CCCCC3)c2)cn1.
What is the InChIKey of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide?
The InChIKey is SMDBRVLGHOLWER-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c1-17(23-15-28-26(32-2)29-16-23)30-25(31)22-13-20(18-6-4-3-5-7-18)12-21(14-22)19-8-10-24(27)11-9-19/h8-18H,3-7H2,1-2H3,(H,30,31)/t17-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide?
3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide has a molecular weight of 449.98 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide is sourced from PubChem (CID 58449388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).