4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide

C23H29ClN2O2 — CID 164625153

IUPAC4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc(OC)c2C)CC1
InChIInChI=1S/C23H29ClN2O2/c1-4-21(26-22(27)18-9-11-19(24)12-10-18)17-7-5-16(6-8-17)20-13-14-25-23(28-3)15(20)2/h9-14,16-17,21H,4-8H2,1-3H3,(H,26,27)/t16?,17?,21-/m1/s1
InChIKeyRCIJUDRKCUHZAX-MYKUNDNFSA-N
MW400.95 g/mol
LogP5.53
Rot. Bonds6

About 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide

4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide (PubChem CID 164625153) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide
PubChem CID164625153
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc(OC)c2C)CC1
InChIInChI=1S/C23H29ClN2O2/c1-4-21(26-22(27)18-9-11-19(24)12-10-18)17-7-5-16(6-8-17)20-13-14-25-23(28-3)15(20)2/h9-14,16-17,21H,4-8H2,1-3H3,(H,26,27)/t16?,17?,21-/m1/s1
InChIKeyRCIJUDRKCUHZAX-MYKUNDNFSA-N
XLogP5.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide (CID 164625153) is 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc(OC)c2C)CC1.
What is the InChIKey of 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide?
The InChIKey is RCIJUDRKCUHZAX-MYKUNDNFSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-4-21(26-22(27)18-9-11-19(24)12-10-18)17-7-5-16(6-8-17)20-13-14-25-23(28-3)15(20)2/h9-14,16-17,21H,4-8H2,1-3H3,(H,26,27)/t16?,17?,21-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide?
4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide has a molecular weight of 400.95 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]propyl]benzamide is sourced from PubChem (CID 164625153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).