3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide

C22H20F2N2O2 — CID 72944084

IUPAC3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
SMILESO=C(NC1CCC(Oc2ccnc3ccccc23)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H20F2N2O2/c23-18-10-5-14(13-19(18)24)22(27)26-15-6-8-16(9-7-15)28-21-11-12-25-20-4-2-1-3-17(20)21/h1-5,10-13,15-16H,6-9H2,(H,26,27)
InChIKeyQFVJJXMRDAEYGJ-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.63
Rot. Bonds4

About 3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide

3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide (PubChem CID 72944084) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
PubChem CID72944084
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
SMILESO=C(NC1CCC(Oc2ccnc3ccccc23)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H20F2N2O2/c23-18-10-5-14(13-19(18)24)22(27)26-15-6-8-16(9-7-15)28-21-11-12-25-20-4-2-1-3-17(20)21/h1-5,10-13,15-16H,6-9H2,(H,26,27)
InChIKeyQFVJJXMRDAEYGJ-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 72944310
3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944200
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
(3,4-difluorophenyl)-quinolin-4-ylmethanone
CID 86811172
4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944410
4-(4-propan-2-ylcyclohexyl)oxyquinoline
CID 155416383
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
CID 23027394
2-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]pyridine-4-carboxamide
CID 22641834
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide
CID 115270179
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide (CID 72944084) is 3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide is O=C(NC1CCC(Oc2ccnc3ccccc23)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide?
The InChIKey is QFVJJXMRDAEYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c23-18-10-5-14(13-19(18)24)22(27)26-15-6-8-16(9-7-15)28-21-11-12-25-20-4-2-1-3-17(20)21/h1-5,10-13,15-16H,6-9H2,(H,26,27).
What are the key properties of 3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide?
3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide has a molecular weight of 382.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide is sourced from PubChem (CID 72944084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).