N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide

C13H17FN4O2 — CID 18071064

IUPACN-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide
SMILESNc1ccc(F)c(NC(=O)CCCN2CCNC2=O)c1
InChIInChI=1S/C13H17FN4O2/c14-10-4-3-9(15)8-11(10)17-12(19)2-1-6-18-7-5-16-13(18)20/h3-4,8H,1-2,5-7,15H2,(H,16,20)(H,17,19)
InChIKeyATAWUHJNUXRTDH-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.15
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide

N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide (PubChem CID 18071064) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide
PubChem CID18071064
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC NameN-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide
SMILESNc1ccc(F)c(NC(=O)CCCN2CCNC2=O)c1
InChIInChI=1S/C13H17FN4O2/c14-10-4-3-9(15)8-11(10)17-12(19)2-1-6-18-7-5-16-13(18)20/h3-4,8H,1-2,5-7,15H2,(H,16,20)(H,17,19)
InChIKeyATAWUHJNUXRTDH-UHFFFAOYSA-N
XLogP1.15
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide 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

N-(5-amino-2-fluorophenyl)-3-(3-oxopiperazin-1-yl)propanamide
CID 16779095
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484
N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide
CID 104679768
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286836
N-(5-amino-2-fluorophenyl)-4-tert-butylsulfinylbutanamide
CID 61304221
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 43287042
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 62962290

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide (CID 18071064) is N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide is Nc1ccc(F)c(NC(=O)CCCN2CCNC2=O)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide?
The InChIKey is ATAWUHJNUXRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c14-10-4-3-9(15)8-11(10)17-12(19)2-1-6-18-7-5-16-13(18)20/h3-4,8H,1-2,5-7,15H2,(H,16,20)(H,17,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide?
N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide has a molecular weight of 280.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 18071064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).