2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide

C15H19FN4O2 — CID 124613896

IUPAC2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCN(C(=O)c1cc(N2CCNC2=O)ccc1F)[C@@H]1CCNC1
InChIInChI=1S/C15H19FN4O2/c1-19(11-4-5-17-9-11)14(21)12-8-10(2-3-13(12)16)20-7-6-18-15(20)22/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyNRHNUJWEJDQEKI-LLVKDONJSA-N
MW306.34 g/mol
LogP0.79
Rot. Bonds3

About 2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide

2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 124613896) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID124613896
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCN(C(=O)c1cc(N2CCNC2=O)ccc1F)[C@@H]1CCNC1
InChIInChI=1S/C15H19FN4O2/c1-19(11-4-5-17-9-11)14(21)12-8-10(2-3-13(12)16)20-7-6-18-15(20)22/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyNRHNUJWEJDQEKI-LLVKDONJSA-N
XLogP0.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825933
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119209151
N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 126795134
2-fluoro-N-(3-methylpiperidin-4-yl)-5-(2-oxoimidazolidin-1-yl)benzamide
CID 120556656
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428604
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537575
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119206131
4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid
CID 119226008
1-[3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 120810556

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 124613896) is 2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide is CN(C(=O)c1cc(N2CCNC2=O)ccc1F)[C@@H]1CCNC1.
What is the InChIKey of 2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is NRHNUJWEJDQEKI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-19(11-4-5-17-9-11)14(21)12-8-10(2-3-13(12)16)20-7-6-18-15(20)22/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,22)/t11-/m1/s1.
What are the key properties of 2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 306.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 124613896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).