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

C17H20FN3O4 — CID 119229675

IUPAC4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C17H20FN3O4/c18-14-6-5-12(21-8-7-19-17(21)25)9-13(14)15(22)20-11-3-1-10(2-4-11)16(23)24/h5-6,9-11H,1-4,7-8H2,(H,19,25)(H,20,22)(H,23,24)
InChIKeyRYKIWCAHFAAPLB-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.73
Rot. Bonds4

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

4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229675) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229675
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C17H20FN3O4/c18-14-6-5-12(21-8-7-19-17(21)25)9-13(14)15(22)20-11-3-1-10(2-4-11)16(23)24/h5-6,9-11H,1-4,7-8H2,(H,19,25)(H,20,22)(H,23,24)
InChIKeyRYKIWCAHFAAPLB-UHFFFAOYSA-N
XLogP1.73
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428604
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119459042
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 71921793
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119171429
2-fluoro-N-(3-methylpiperidin-4-yl)-5-(2-oxoimidazolidin-1-yl)benzamide
CID 120556656
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537575
2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119433675
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119209151
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid
CID 119192133
4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61160859

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 119229675) is 4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of 4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RYKIWCAHFAAPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c18-14-6-5-12(21-8-7-19-17(21)25)9-13(14)15(22)20-11-3-1-10(2-4-11)16(23)24/h5-6,9-11H,1-4,7-8H2,(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]cyclohexane-1-carboxylic acid?
4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 349.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).