5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide

C15H15ClFN3O2 — CID 162507399

IUPAC5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide
SMILESO=C(CCCCCl)Nc1cnc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C15H15ClFN3O2/c16-7-2-1-6-14(21)20-12-9-18-15(19-10-12)22-13-5-3-4-11(17)8-13/h3-5,8-10H,1-2,6-7H2,(H,20,21)
InChIKeyYCYSDOWAMDXDFN-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.76
Rot. Bonds7

About 5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide

5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide (PubChem CID 162507399) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide
PubChem CID162507399
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.75 g/mol
Exact Mass323.08
IUPAC Name5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide
SMILESO=C(CCCCCl)Nc1cnc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C15H15ClFN3O2/c16-7-2-1-6-14(21)20-12-9-18-15(19-10-12)22-13-5-3-4-11(17)8-13/h3-5,8-10H,1-2,6-7H2,(H,20,21)
InChIKeyYCYSDOWAMDXDFN-UHFFFAOYSA-N
XLogP3.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-phenoxyphenyl)butanamide
CID 63308949
2-chloro-N-[4-(3-fluorophenoxy)phenyl]acetamide
CID 39379903
5-chloro-N-(3,5-difluorophenyl)pentanamide
CID 28733613
(3-fluorophenyl) 6-chlorohexanoate
CID 91714533
5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
4-pyridin-2-yl-N-(3-pyrimidin-2-yloxyphenyl)butanamide
CID 75371190
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
4-chloro-N-(3-phenylmethoxyphenyl)butanamide
CID 17161005
4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47336960

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide?
The IUPAC name of 5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide (CID 162507399) is 5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide.
What is the SMILES notation for 5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide?
The canonical SMILES for 5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide is O=C(CCCCCl)Nc1cnc(Oc2cccc(F)c2)nc1.
What is the InChIKey of 5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide?
The InChIKey is YCYSDOWAMDXDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c16-7-2-1-6-14(21)20-12-9-18-15(19-10-12)22-13-5-3-4-11(17)8-13/h3-5,8-10H,1-2,6-7H2,(H,20,21).
What are the key properties of 5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide?
5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide has a molecular weight of 323.75 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide is sourced from PubChem (CID 162507399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).