3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide

C17H16ClFN4O2 — CID 178109515

IUPAC3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N2C(=O)N(c3nccc(Cl)c3F)C[C@@H]2C)c1
InChIInChI=1S/C17H16ClFN4O2/c1-10-9-22(15-14(19)13(18)6-7-21-15)17(25)23(10)12-5-3-4-11(8-12)16(24)20-2/h3-8,10H,9H2,1-2H3,(H,20,24)/t10-/m0/s1
InChIKeySXRDLQLEHIQACF-JTQLQIEISA-N
MW362.79 g/mol
LogP3.07
Rot. Bonds3

About 3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide

3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide (PubChem CID 178109515) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is 3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide
PubChem CID178109515
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC Name3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N2C(=O)N(c3nccc(Cl)c3F)C[C@@H]2C)c1
InChIInChI=1S/C17H16ClFN4O2/c1-10-9-22(15-14(19)13(18)6-7-21-15)17(25)23(10)12-5-3-4-11(8-12)16(24)20-2/h3-8,10H,9H2,1-2H3,(H,20,24)/t10-/m0/s1
InChIKeySXRDLQLEHIQACF-JTQLQIEISA-N
XLogP3.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide?
The IUPAC name of 3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide (CID 178109515) is 3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide?
The canonical SMILES for 3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide is CNC(=O)c1cccc(N2C(=O)N(c3nccc(Cl)c3F)C[C@@H]2C)c1.
What is the InChIKey of 3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide?
The InChIKey is SXRDLQLEHIQACF-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c1-10-9-22(15-14(19)13(18)6-7-21-15)17(25)23(10)12-5-3-4-11(8-12)16(24)20-2/h3-8,10H,9H2,1-2H3,(H,20,24)/t10-/m0/s1.
What are the key properties of 3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide?
3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide has a molecular weight of 362.79 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-3-(4-chloro-3-fluoro-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 178109515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).