4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide

C21H26ClN3O2 — CID 164616903

IUPAC4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2nccc(OC)n2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-3-18(24-21(26)16-8-10-17(22)11-9-16)14-4-6-15(7-5-14)20-23-13-12-19(25-20)27-2/h8-15,18H,3-7H2,1-2H3,(H,24,26)/t14?,15?,18-/m1/s1
InChIKeyLCRCVPMVOWUYNR-JTTJXQCZSA-N
MW387.91 g/mol
LogP4.62
Rot. Bonds6

About 4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide

4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide (PubChem CID 164616903) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide
PubChem CID164616903
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2nccc(OC)n2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-3-18(24-21(26)16-8-10-17(22)11-9-16)14-4-6-15(7-5-14)20-23-13-12-19(25-20)27-2/h8-15,18H,3-7H2,1-2H3,(H,24,26)/t14?,15?,18-/m1/s1
InChIKeyLCRCVPMVOWUYNR-JTTJXQCZSA-N
XLogP4.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide (CID 164616903) is 4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2nccc(OC)n2)CC1.
What is the InChIKey of 4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide?
The InChIKey is LCRCVPMVOWUYNR-JTTJXQCZSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-3-18(24-21(26)16-8-10-17(22)11-9-16)14-4-6-15(7-5-14)20-23-13-12-19(25-20)27-2/h8-15,18H,3-7H2,1-2H3,(H,24,26)/t14?,15?,18-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide?
4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide has a molecular weight of 387.91 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide is sourced from PubChem (CID 164616903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).