3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide

C23H23FN2O2 — CID 72944200

IUPAC3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(Oc2ccnc3ccccc23)CC1)c1cccc(F)c1
InChIInChI=1S/C23H23FN2O2/c24-18-5-3-4-17(14-18)23(27)26-15-16-8-10-19(11-9-16)28-22-12-13-25-21-7-2-1-6-20(21)22/h1-7,12-14,16,19H,8-11,15H2,(H,26,27)
InChIKeyFANXANPYCNOZRR-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.74
Rot. Bonds5

About 3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide

3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide (PubChem CID 72944200) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
PubChem CID72944200
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(Oc2ccnc3ccccc23)CC1)c1cccc(F)c1
InChIInChI=1S/C23H23FN2O2/c24-18-5-3-4-17(14-18)23(27)26-15-16-8-10-19(11-9-16)28-22-12-13-25-21-7-2-1-6-20(21)22/h1-7,12-14,16,19H,8-11,15H2,(H,26,27)
InChIKeyFANXANPYCNOZRR-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944410
3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
CID 72944084
N-[(4-bromocyclohexyl)methyl]quinoline-4-carboxamide
CID 106134702
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
3-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63007971
4-(4-propan-2-ylcyclohexyl)oxyquinoline
CID 155416383
3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 134423135
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
3,4-difluoro-N-[[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]methyl]benzamide
CID 151903016
3-fluoro-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]benzamide
CID 98135026

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide (CID 72944200) is 3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide is O=C(NCC1CCC(Oc2ccnc3ccccc23)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
The InChIKey is FANXANPYCNOZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-18-5-3-4-17(14-18)23(27)26-15-16-8-10-19(11-9-16)28-22-12-13-25-21-7-2-1-6-20(21)22/h1-7,12-14,16,19H,8-11,15H2,(H,26,27).
What are the key properties of 3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 72944200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).