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

C17H18ClN3O2 — CID 90633673

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccccc1
InChIInChI=1S/C17H18ClN3O2/c18-13-10-19-17(20-11-13)23-15-8-6-14(7-9-15)21-16(22)12-4-2-1-3-5-12/h1-5,10-11,14-15H,6-9H2,(H,21,22)
InChIKeyAMVVYNFNHZDOIJ-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.25
Rot. Bonds4

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

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide (PubChem CID 90633673) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
PubChem CID90633673
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccccc1
InChIInChI=1S/C17H18ClN3O2/c18-13-10-19-17(20-11-13)23-15-8-6-14(7-9-15)21-16(22)12-4-2-1-3-5-12/h1-5,10-11,14-15H,6-9H2,(H,21,22)
InChIKeyAMVVYNFNHZDOIJ-UHFFFAOYSA-N
XLogP3.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-2-fluorobenzamide
CID 90633695
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
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
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide
CID 90633915
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633748
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
CID 90633658
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide (CID 90633673) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide is O=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccccc1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide?
The InChIKey is AMVVYNFNHZDOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-10-19-17(20-11-13)23-15-8-6-14(7-9-15)21-16(22)12-4-2-1-3-5-12/h1-5,10-11,14-15H,6-9H2,(H,21,22).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide has a molecular weight of 331.80 g/mol, XLogP of 3.25, 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]benzamide is sourced from PubChem (CID 90633673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).