N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

C17H26ClFN4O2 — CID 119599973

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(N2CCNC2=O)ccc1F.Cl
InChIInChI=1S/C17H25FN4O2.ClH/c1-11(2)9-17(3,10-19)21-15(23)13-8-12(4-5-14(13)18)22-7-6-20-16(22)24;/h4-5,8,11H,6-7,9-10,19H2,1-3H3,(H,20,24)(H,21,23);1H
InChIKeyHGIOURJBECNWMO-UHFFFAOYSA-N
MW372.87 g/mol
LogP2.27
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 119599973) has the molecular formula C17H26ClFN4O2 and a molecular weight of 372.87 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
PubChem CID119599973
Molecular FormulaC17H26ClFN4O2
Molecular Weight372.87 g/mol
Exact Mass372.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(N2CCNC2=O)ccc1F.Cl
InChIInChI=1S/C17H25FN4O2.ClH/c1-11(2)9-17(3,10-19)21-15(23)13-8-12(4-5-14(13)18)22-7-6-20-16(22)24;/h4-5,8,11H,6-7,9-10,19H2,1-3H3,(H,20,24)(H,21,23);1H
InChIKeyHGIOURJBECNWMO-UHFFFAOYSA-N
XLogP2.27
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (CID 119599973) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1cc(N2CCNC2=O)ccc1F.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The InChIKey is HGIOURJBECNWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2.ClH/c1-11(2)9-17(3,10-19)21-15(23)13-8-12(4-5-14(13)18)22-7-6-20-16(22)24;/h4-5,8,11H,6-7,9-10,19H2,1-3H3,(H,20,24)(H,21,23);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 372.87 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119599973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).