2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide

C24H24ClFN2O — CID 121332518

IUPAC2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1Cl)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H24ClFN2O/c1-15(28-24(29)20-4-2-3-5-22(20)25)16-6-8-17(9-7-16)19-12-13-27-23-11-10-18(26)14-21(19)23/h2-5,10-17H,6-9H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1
InChIKeyVIQWFQHYSVMVGC-KLAILNCOSA-N
MW410.92 g/mol
LogP6.12
Rot. Bonds4

About 2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide

2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide (PubChem CID 121332518) has the molecular formula C24H24ClFN2O and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide
PubChem CID121332518
Molecular FormulaC24H24ClFN2O
Molecular Weight410.92 g/mol
Exact Mass410.16
IUPAC Name2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1Cl)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H24ClFN2O/c1-15(28-24(29)20-4-2-3-5-22(20)25)16-6-8-17(9-7-16)19-12-13-27-23-11-10-18(26)14-21(19)23/h2-5,10-17H,6-9H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1
InChIKeyVIQWFQHYSVMVGC-KLAILNCOSA-N
XLogP6.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide (CID 121332518) is 2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide is C[C@@H](NC(=O)c1ccccc1Cl)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide?
The InChIKey is VIQWFQHYSVMVGC-KLAILNCOSA-N. The full InChI is InChI=1S/C24H24ClFN2O/c1-15(28-24(29)20-4-2-3-5-22(20)25)16-6-8-17(9-7-16)19-12-13-27-23-11-10-18(26)14-21(19)23/h2-5,10-17H,6-9H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide?
2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide has a molecular weight of 410.92 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide is sourced from PubChem (CID 121332518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).