4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide

C21H25ClN2O — CID 121329969

IUPAC4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide
SMILESCc1cc(C2CCC([C@@H](C)NC(=O)c3ccc(Cl)cc3)CC2)ccn1
InChIInChI=1S/C21H25ClN2O/c1-14-13-19(11-12-23-14)17-5-3-16(4-6-17)15(2)24-21(25)18-7-9-20(22)10-8-18/h7-13,15-17H,3-6H2,1-2H3,(H,24,25)/t15-,16?,17?/m1/s1
InChIKeyIBPKEMIBZFVABE-KLAILNCOSA-N
MW356.90 g/mol
LogP5.14
Rot. Bonds4

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

4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide (PubChem CID 121329969) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide
PubChem CID121329969
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide
SMILESCc1cc(C2CCC([C@@H](C)NC(=O)c3ccc(Cl)cc3)CC2)ccn1
InChIInChI=1S/C21H25ClN2O/c1-14-13-19(11-12-23-14)17-5-3-16(4-6-17)15(2)24-21(25)18-7-9-20(22)10-8-18/h7-13,15-17H,3-6H2,1-2H3,(H,24,25)/t15-,16?,17?/m1/s1
InChIKeyIBPKEMIBZFVABE-KLAILNCOSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide (CID 121329969) is 4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide is Cc1cc(C2CCC([C@@H](C)NC(=O)c3ccc(Cl)cc3)CC2)ccn1.
What is the InChIKey of 4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide?
The InChIKey is IBPKEMIBZFVABE-KLAILNCOSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-14-13-19(11-12-23-14)17-5-3-16(4-6-17)15(2)24-21(25)18-7-9-20(22)10-8-18/h7-13,15-17H,3-6H2,1-2H3,(H,24,25)/t15-,16?,17?/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide?
4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide has a molecular weight of 356.90 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]benzamide is sourced from PubChem (CID 121329969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).