2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

C14H20ClFN4O2 — CID 119433675

IUPAC2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(N2CCNC2=O)ccc1F.Cl
InChIInChI=1S/C14H19FN4O2.ClH/c1-16-5-2-6-17-13(20)11-9-10(3-4-12(11)15)19-8-7-18-14(19)21;/h3-4,9,16H,2,5-8H2,1H3,(H,17,20)(H,18,21);1H
InChIKeyRERSGPRWGLFMJX-UHFFFAOYSA-N
MW330.79 g/mol
LogP1.12
Rot. Bonds6

About 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 119433675) has the molecular formula C14H20ClFN4O2 and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
PubChem CID119433675
Molecular FormulaC14H20ClFN4O2
Molecular Weight330.79 g/mol
Exact Mass330.13
IUPAC Name2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(N2CCNC2=O)ccc1F.Cl
InChIInChI=1S/C14H19FN4O2.ClH/c1-16-5-2-6-17-13(20)11-9-10(3-4-12(11)15)19-8-7-18-14(19)21;/h3-4,9,16H,2,5-8H2,1H3,(H,17,20)(H,18,21);1H
InChIKeyRERSGPRWGLFMJX-UHFFFAOYSA-N
XLogP1.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119171429
2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119504449
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]methyl]oxane-4-carboxylic acid
CID 120542844
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119459042
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428604
N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 167938598
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
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119599973
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 71921793

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (CID 119433675) is 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is CNCCCNC(=O)c1cc(N2CCNC2=O)ccc1F.Cl.
What is the InChIKey of 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The InChIKey is RERSGPRWGLFMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2.ClH/c1-16-5-2-6-17-13(20)11-9-10(3-4-12(11)15)19-8-7-18-14(19)21;/h3-4,9,16H,2,5-8H2,1H3,(H,17,20)(H,18,21);1H.
What are the key properties of 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 330.79 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119433675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).