4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid

C17H20FN3O5 — CID 120542844

IUPAC4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C17H20FN3O5/c18-13-2-1-11(21-6-5-19-16(21)25)9-12(13)14(22)20-10-17(15(23)24)3-7-26-8-4-17/h1-2,9H,3-8,10H2,(H,19,25)(H,20,22)(H,23,24)
InChIKeyKLZJSVKVABYPBF-UHFFFAOYSA-N
MW365.36 g/mol
LogP0.97
Rot. Bonds5

About 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid

4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 120542844) has the molecular formula C17H20FN3O5 and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID120542844
Molecular FormulaC17H20FN3O5
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C17H20FN3O5/c18-13-2-1-11(21-6-5-19-16(21)25)9-12(13)14(22)20-10-17(15(23)24)3-7-26-8-4-17/h1-2,9H,3-8,10H2,(H,19,25)(H,20,22)(H,23,24)
InChIKeyKLZJSVKVABYPBF-UHFFFAOYSA-N
XLogP0.97
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119171429
2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119433675
N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 167938598
4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438299
4-[[(2-fluoro-4-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438527
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
4-[[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542330
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537575
4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229675
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid
CID 119192133
4-[[(4-fluoro-3-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438418
4-[[(2-bromo-3-fluorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438483

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid (CID 120542844) is 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid is O=C(NCC1(C(=O)O)CCOCC1)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is KLZJSVKVABYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O5/c18-13-2-1-11(21-6-5-19-16(21)25)9-12(13)14(22)20-10-17(15(23)24)3-7-26-8-4-17/h1-2,9H,3-8,10H2,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 365.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120542844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).