N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide

C16H20F2N4O2 — CID 167938598

IUPACN-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
SMILESNCC1CC(F)(CNC(=O)c2cc(N3CCNC3=O)ccc2F)C1
InChIInChI=1S/C16H20F2N4O2/c17-13-2-1-11(22-4-3-20-15(22)24)5-12(13)14(23)21-9-16(18)6-10(7-16)8-19/h1-2,5,10H,3-4,6-9,19H2,(H,20,24)(H,21,23)
InChIKeyZYVZRXSZAUQCBD-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.16
Rot. Bonds5

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

N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 167938598) has the molecular formula C16H20F2N4O2 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID167938598
Molecular FormulaC16H20F2N4O2
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC NameN-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
SMILESNCC1CC(F)(CNC(=O)c2cc(N3CCNC3=O)ccc2F)C1
InChIInChI=1S/C16H20F2N4O2/c17-13-2-1-11(22-4-3-20-15(22)24)5-12(13)14(23)21-9-16(18)6-10(7-16)8-19/h1-2,5,10H,3-4,6-9,19H2,(H,20,24)(H,21,23)
InChIKeyZYVZRXSZAUQCBD-UHFFFAOYSA-N
XLogP1.16
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119171429
4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542844
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
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
1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 119634190
4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229675
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119599973
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
(E)-2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]hex-4-enoic acid
CID 120694260
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119209151

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide (CID 167938598) is N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide is NCC1CC(F)(CNC(=O)c2cc(N3CCNC3=O)ccc2F)C1.
What is the InChIKey of N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is ZYVZRXSZAUQCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2/c17-13-2-1-11(22-4-3-20-15(22)24)5-12(13)14(23)21-9-16(18)6-10(7-16)8-19/h1-2,5,10H,3-4,6-9,19H2,(H,20,24)(H,21,23).
What are the key properties of N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide?
N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 338.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 167938598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).