N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide

C17H16ClF2N3O2 — CID 90633706

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2N3O2/c18-11-8-21-17(22-9-11)25-13-4-2-12(3-5-13)23-16(24)10-1-6-14(19)15(20)7-10/h1,6-9,12-13H,2-5H2,(H,23,24)
InChIKeyCZSYFCJIUHLRIW-UHFFFAOYSA-N
MW367.78 g/mol
LogP3.53
Rot. Bonds4

About N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide (PubChem CID 90633706) has the molecular formula C17H16ClF2N3O2 and a molecular weight of 367.78 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
PubChem CID90633706
Molecular FormulaC17H16ClF2N3O2
Molecular Weight367.78 g/mol
Exact Mass367.09
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2N3O2/c18-11-8-21-17(22-9-11)25-13-4-2-12(3-5-13)23-16(24)10-1-6-14(19)15(20)7-10/h1,6-9,12-13H,2-5H2,(H,23,24)
InChIKeyCZSYFCJIUHLRIW-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
CID 90633900
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
CID 90633694
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide
CID 90633915
3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
CID 72944084
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 90634146
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
CID 90633747

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide (CID 90633706) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide is O=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide?
The InChIKey is CZSYFCJIUHLRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O2/c18-11-8-21-17(22-9-11)25-13-4-2-12(3-5-13)23-16(24)10-1-6-14(19)15(20)7-10/h1,6-9,12-13H,2-5H2,(H,23,24).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide has a molecular weight of 367.78 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide is sourced from PubChem (CID 90633706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).