4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide

C23H22F2N2O2 — CID 72943976

IUPAC4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(Oc2ccnc3c(F)cccc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H22F2N2O2/c24-17-8-6-16(7-9-17)23(28)27-14-15-4-10-18(11-5-15)29-21-12-13-26-22-19(21)2-1-3-20(22)25/h1-3,6-9,12-13,15,18H,4-5,10-11,14H2,(H,27,28)
InChIKeySMJFZIKHGRDRRK-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.88
Rot. Bonds5

About 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide

4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide (PubChem CID 72943976) has the molecular formula C23H22F2N2O2 and a molecular weight of 396.44 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide
PubChem CID72943976
Molecular FormulaC23H22F2N2O2
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(Oc2ccnc3c(F)cccc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H22F2N2O2/c24-17-8-6-16(7-9-17)23(28)27-14-15-4-10-18(11-5-15)29-21-12-13-26-22-19(21)2-1-3-20(22)25/h1-3,6-9,12-13,15,18H,4-5,10-11,14H2,(H,27,28)
InChIKeySMJFZIKHGRDRRK-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide with MolForge

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Related Compounds

HPGDS inhibitor 2
CID 129247606
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
YM-244769
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Biarylether amide quinoline, 4b
CID 44472992
Biarylether amide quinoline, 4c
CID 44472993
(3R,4R)-rel-Tetrahydro-N-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methoxy]benzoyl]amino]-2H-pyran-3-carboxamide
CID 10252411
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089
N-Cyclopropyl-6-[(7-methoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamide
CID 11383525
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-quinolin-8-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256724
4-chloro-N-[1-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288903
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide (CID 72943976) is 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide is O=C(NCC1CCC(Oc2ccnc3c(F)cccc23)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide?
The InChIKey is SMJFZIKHGRDRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O2/c24-17-8-6-16(7-9-17)23(28)27-14-15-4-10-18(11-5-15)29-21-12-13-26-22-19(21)2-1-3-20(22)25/h1-3,6-9,12-13,15,18H,4-5,10-11,14H2,(H,27,28).
What are the key properties of 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide?
4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide has a molecular weight of 396.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]benzamide is sourced from PubChem (CID 72943976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).