4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid

C19H18FN3O4 — CID 119226008

IUPAC4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)C(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C19H18FN3O4/c1-22(11-12-2-4-13(5-3-12)18(25)26)17(24)15-10-14(6-7-16(15)20)23-9-8-21-19(23)27/h2-7,10H,8-9,11H2,1H3,(H,21,27)(H,25,26)
InChIKeyOTRLFLYGHQXGIF-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.33
Rot. Bonds5

About 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid

4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid (PubChem CID 119226008) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid
PubChem CID119226008
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)C(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C19H18FN3O4/c1-22(11-12-2-4-13(5-3-12)18(25)26)17(24)15-10-14(6-7-16(15)20)23-9-8-21-19(23)27/h2-7,10H,8-9,11H2,1H3,(H,21,27)(H,25,26)
InChIKeyOTRLFLYGHQXGIF-UHFFFAOYSA-N
XLogP2.33
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71940813
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119209151
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299345
2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119206131
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71939923
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119171429
2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613896
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825933
2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024225
2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119433675
5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222562
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 139000916

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid (CID 119226008) is 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)C(=O)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid?
The InChIKey is OTRLFLYGHQXGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-22(11-12-2-4-13(5-3-12)18(25)26)17(24)15-10-14(6-7-16(15)20)23-9-8-21-19(23)27/h2-7,10H,8-9,11H2,1H3,(H,21,27)(H,25,26).
What are the key properties of 4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid?
4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid has a molecular weight of 371.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 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]-methylamino]methyl]benzoic acid is sourced from PubChem (CID 119226008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).