N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide

C23H19BrF4N2O2 — CID 72944310

IUPACN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Oc2ccnc3c(Br)cccc23)CC1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C23H19BrF4N2O2/c24-18-3-1-2-16-20(10-11-29-21(16)18)32-15-7-5-14(6-8-15)30-22(31)13-4-9-17(19(25)12-13)23(26,27)28/h1-4,9-12,14-15H,5-8H2,(H,30,31)
InChIKeySKHBRZUVHBVDFH-UHFFFAOYSA-N
MW511.31 g/mol
LogP6.28
Rot. Bonds4

About N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide

N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 72944310) has the molecular formula C23H19BrF4N2O2 and a molecular weight of 511.31 g/mol. Its IUPAC name is N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide
PubChem CID72944310
Molecular FormulaC23H19BrF4N2O2
Molecular Weight511.31 g/mol
Exact Mass510.06
IUPAC NameN-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Oc2ccnc3c(Br)cccc23)CC1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C23H19BrF4N2O2/c24-18-3-1-2-16-20(10-11-29-21(16)18)32-15-7-5-14(6-8-15)30-22(31)13-4-9-17(19(25)12-13)23(26,27)28/h1-4,9-12,14-15H,5-8H2,(H,30,31)
InChIKeySKHBRZUVHBVDFH-UHFFFAOYSA-N
XLogP6.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.31
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
CID 72944084
3-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-5-fluorobenzamide
CID 90029377
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058
3-bromo-N-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)benzamide
CID 176508179
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
CID 146047094
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 103706617
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline
CID 58948367
3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944200

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide (CID 72944310) is N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide is O=C(NC1CCC(Oc2ccnc3c(Br)cccc23)CC1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is SKHBRZUVHBVDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrF4N2O2/c24-18-3-1-2-16-20(10-11-29-21(16)18)32-15-7-5-14(6-8-15)30-22(31)13-4-9-17(19(25)12-13)23(26,27)28/h1-4,9-12,14-15H,5-8H2,(H,30,31).
What are the key properties of N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide?
N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 511.31 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-bromoquinolin-4-yl)oxycyclohexyl]-3-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 72944310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).