N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide

C18H17ClF3N3O3 — CID 90633900

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H17ClF3N3O3/c19-12-9-23-17(24-10-12)27-14-6-4-13(5-7-14)25-16(26)11-2-1-3-15(8-11)28-18(20,21)22/h1-3,8-10,13-14H,4-7H2,(H,25,26)
InChIKeyYLDZCBXVUCBPRC-UHFFFAOYSA-N
MW415.80 g/mol
LogP4.15
Rot. Bonds5

About N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide (PubChem CID 90633900) has the molecular formula C18H17ClF3N3O3 and a molecular weight of 415.80 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
PubChem CID90633900
Molecular FormulaC18H17ClF3N3O3
Molecular Weight415.80 g/mol
Exact Mass415.09
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H17ClF3N3O3/c19-12-9-23-17(24-10-12)27-14-6-4-13(5-7-14)25-16(26)11-2-1-3-15(8-11)28-18(20,21)22/h1-3,8-10,13-14H,4-7H2,(H,25,26)
InChIKeyYLDZCBXVUCBPRC-UHFFFAOYSA-N
XLogP4.15
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide
CID 69105937
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
CID 90633694
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90634047
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(3-methoxyphenoxy)acetamide
CID 90633739
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide
CID 90633915

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide (CID 90633900) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide is O=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is YLDZCBXVUCBPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O3/c19-12-9-23-17(24-10-12)27-14-6-4-13(5-7-14)25-16(26)11-2-1-3-15(8-11)28-18(20,21)22/h1-3,8-10,13-14H,4-7H2,(H,25,26).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 415.80 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90633900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).