N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide

C17H17ClFN3O2 — CID 90633695

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccccc1F
InChIInChI=1S/C17H17ClFN3O2/c18-11-9-20-17(21-10-11)24-13-7-5-12(6-8-13)22-16(23)14-3-1-2-4-15(14)19/h1-4,9-10,12-13H,5-8H2,(H,22,23)
InChIKeyRLBODYMSJHHACP-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.39
Rot. Bonds4

About N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide (PubChem CID 90633695) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
PubChem CID90633695
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccccc1F
InChIInChI=1S/C17H17ClFN3O2/c18-11-9-20-17(21-10-11)24-13-7-5-12(6-8-13)22-16(23)14-3-1-2-4-15(14)19/h1-4,9-10,12-13H,5-8H2,(H,22,23)
InChIKeyRLBODYMSJHHACP-UHFFFAOYSA-N
XLogP3.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
CID 90633900
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide (CID 90633695) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide is O=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccccc1F.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide?
The InChIKey is RLBODYMSJHHACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-11-9-20-17(21-10-11)24-13-7-5-12(6-8-13)22-16(23)14-3-1-2-4-15(14)19/h1-4,9-10,12-13H,5-8H2,(H,22,23).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide has a molecular weight of 349.79 g/mol, XLogP of 3.39, 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]-2-fluorobenzamide is sourced from PubChem (CID 90633695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).