3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

C16H16ClFN4O2 — CID 119100545

IUPAC3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C16H16ClFN4O2/c17-12-8-19-15(20-9-12)24-14-5-6-22(10-14)16(23)21-7-11-1-3-13(18)4-2-11/h1-4,8-9,14H,5-7,10H2,(H,21,23)
InChIKeyARYMRGRUDGCWFR-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.63
Rot. Bonds4

About 3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 119100545) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID119100545
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C16H16ClFN4O2/c17-12-8-19-15(20-9-12)24-14-5-6-22(10-14)16(23)21-7-11-1-3-13(18)4-2-11/h1-4,8-9,14H,5-7,10H2,(H,21,23)
InChIKeyARYMRGRUDGCWFR-UHFFFAOYSA-N
XLogP2.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248512
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 122258095
3-[(3-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248114
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 90639799
3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide
CID 122259581
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 119100517
1-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 121017797
N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559393
(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide
CID 100640493
N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638035

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (CID 119100545) is 3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of 3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is ARYMRGRUDGCWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c17-12-8-19-15(20-9-12)24-14-5-6-22(10-14)16(23)21-7-11-1-3-13(18)4-2-11/h1-4,8-9,14H,5-7,10H2,(H,21,23).
What are the key properties of 3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 350.78 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 119100545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).