N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide

C23H23FN2O — CID 121329944

IUPACN-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H23FN2O/c24-18-8-11-22-21(15-18)20(12-13-25-22)17-6-9-19(10-7-17)26-23(27)14-16-4-2-1-3-5-16/h1-5,8,11-13,15,17,19H,6-7,9-10,14H2,(H,26,27)
InChIKeyJUVASEOPMIXUJG-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.76
Rot. Bonds4

About N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide

N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide (PubChem CID 121329944) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
PubChem CID121329944
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H23FN2O/c24-18-8-11-22-21(15-18)20(12-13-25-22)17-6-9-19(10-7-17)26-23(27)14-16-4-2-1-3-5-16/h1-5,8,11-13,15,17,19H,6-7,9-10,14H2,(H,26,27)
InChIKeyJUVASEOPMIXUJG-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine
CID 121318760
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
CID 121332539
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylpropanamide
CID 138595573
N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline
CID 145397632
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide
CID 138608756
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide?
The IUPAC name of N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide (CID 121329944) is N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide?
The InChIKey is JUVASEOPMIXUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-18-8-11-22-21(15-18)20(12-13-25-22)17-6-9-19(10-7-17)26-23(27)14-16-4-2-1-3-5-16/h1-5,8,11-13,15,17,19H,6-7,9-10,14H2,(H,26,27).
What are the key properties of N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide?
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide has a molecular weight of 362.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide is sourced from PubChem (CID 121329944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).