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

C24H24ClFN2O — CID 121332488

IUPAC3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H24ClFN2O/c1-15(28-24(29)18-3-2-4-19(25)13-18)16-5-7-17(8-6-16)21-11-12-27-23-10-9-20(26)14-22(21)23/h2-4,9-17H,5-8H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1
InChIKeyVNHYPPWVEYZIST-KLAILNCOSA-N
MW410.92 g/mol
LogP6.12
Rot. Bonds4

About 3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide

3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide (PubChem CID 121332488) has the molecular formula C24H24ClFN2O and a molecular weight of 410.92 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide
PubChem CID121332488
Molecular FormulaC24H24ClFN2O
Molecular Weight410.92 g/mol
Exact Mass410.16
IUPAC Name3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H24ClFN2O/c1-15(28-24(29)18-3-2-4-19(25)13-18)16-5-7-17(8-6-16)21-11-12-27-23-10-9-20(26)14-22(21)23/h2-4,9-17H,5-8H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1
InChIKeyVNHYPPWVEYZIST-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 3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide (CID 121332488) is 3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide is C[C@@H](NC(=O)c1cccc(Cl)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide?
The InChIKey is VNHYPPWVEYZIST-KLAILNCOSA-N. The full InChI is InChI=1S/C24H24ClFN2O/c1-15(28-24(29)18-3-2-4-19(25)13-18)16-5-7-17(8-6-16)21-11-12-27-23-10-9-20(26)14-22(21)23/h2-4,9-17H,5-8H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide?
3-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 3-chloro-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzamide is sourced from PubChem (CID 121332488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).