4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide

C14H19ClFN3O2 — CID 90634187

IUPAC4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
SMILESO=C(CCCCl)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H19ClFN3O2/c15-7-1-2-13(20)19-11-3-5-12(6-4-11)21-14-17-8-10(16)9-18-14/h8-9,11-12H,1-7H2,(H,19,20)
InChIKeyOGHQEIWQDOSPAR-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.44
Rot. Bonds6

About 4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide

4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide (PubChem CID 90634187) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is 4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
PubChem CID90634187
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC Name4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
SMILESO=C(CCCCl)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H19ClFN3O2/c15-7-1-2-13(20)19-11-3-5-12(6-4-11)21-14-17-8-10(16)9-18-14/h8-9,11-12H,1-7H2,(H,19,20)
InChIKeyOGHQEIWQDOSPAR-UHFFFAOYSA-N
XLogP2.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
CID 91626407
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
CID 91626361
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
CID 90634473
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
ethyl 2-[[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]amino]-2-oxoacetate
CID 90634183
4-chloro-N-cyclopropylbutanamide
CID 5152347
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
CID 90634353
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
CID 90633747
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide?
The IUPAC name of 4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide (CID 90634187) is 4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide.
What is the SMILES notation for 4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide?
The canonical SMILES for 4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide is O=C(CCCCl)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide?
The InChIKey is OGHQEIWQDOSPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O2/c15-7-1-2-13(20)19-11-3-5-12(6-4-11)21-14-17-8-10(16)9-18-14/h8-9,11-12H,1-7H2,(H,19,20).
What are the key properties of 4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide?
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide has a molecular weight of 315.78 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide is sourced from PubChem (CID 90634187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).