4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide

C22H20ClFN2O — CID 121329957

IUPAC4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
SMILESO=C(NC1CCC(c2ccnc3ccc(F)cc23)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFN2O/c23-16-5-1-15(2-6-16)22(27)26-18-8-3-14(4-9-18)19-11-12-25-21-10-7-17(24)13-20(19)21/h1-2,5-7,10-14,18H,3-4,8-9H2,(H,26,27)
InChIKeyNBWVFYBFYOOJSE-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.48
Rot. Bonds3

About 4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide

4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide (PubChem CID 121329957) has the molecular formula C22H20ClFN2O and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
PubChem CID121329957
Molecular FormulaC22H20ClFN2O
Molecular Weight382.87 g/mol
Exact Mass382.12
IUPAC Name4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
SMILESO=C(NC1CCC(c2ccnc3ccc(F)cc23)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFN2O/c23-16-5-1-15(2-6-16)22(27)26-18-8-3-14(4-9-18)19-11-12-25-21-10-7-17(24)13-20(19)21/h1-2,5-7,10-14,18H,3-4,8-9H2,(H,26,27)
InChIKeyNBWVFYBFYOOJSE-UHFFFAOYSA-N
XLogP5.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline
CID 145397632
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
CID 121318796
4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646245
N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide
CID 139429318
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
N-cyclobutyl-2-[3-(6-fluoroquinolin-4-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 138633852
4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide
CID 142578317
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
CID 121332539
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]pyridine-4-carboxamide
CID 146470800
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide (CID 121329957) is 4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide is O=C(NC1CCC(c2ccnc3ccc(F)cc23)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide?
The InChIKey is NBWVFYBFYOOJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O/c23-16-5-1-15(2-6-16)22(27)26-18-8-3-14(4-9-18)19-11-12-25-21-10-7-17(24)13-20(19)21/h1-2,5-7,10-14,18H,3-4,8-9H2,(H,26,27).
What are the key properties of 4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide?
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide has a molecular weight of 382.87 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide is sourced from PubChem (CID 121329957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).