propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate

C18H19FN2O2 — CID 4131696

IUPACpropyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate
SMILESCCCO/C(=N\Cc1ccccc1)NC(=O)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O2/c1-2-11-23-18(20-13-14-7-4-3-5-8-14)21-17(22)15-9-6-10-16(19)12-15/h3-10,12H,2,11,13H2,1H3,(H,20,21,22)
InChIKeyULJNIXASJUOLFV-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.54
Rot. Bonds5

About propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate

propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate (PubChem CID 4131696) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate.

Molecular Properties

Compound Namepropyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate
PubChem CID4131696
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Namepropyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate
SMILESCCCO/C(=N\Cc1ccccc1)NC(=O)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O2/c1-2-11-23-18(20-13-14-7-4-3-5-8-14)21-17(22)15-9-6-10-16(19)12-15/h3-10,12H,2,11,13H2,1H3,(H,20,21,22)
InChIKeyULJNIXASJUOLFV-UHFFFAOYSA-N
XLogP3.54
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate 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-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate
CID 7261343
propyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836849
propyl 2-[(3-fluorobenzoyl)amino]propanoate
CID 6422568
propyl 2-(3-fluorophenyl)acetate
CID 43389577
propyl N-(1,3-benzodioxole-5-carbonyl)-N'-(pyridin-3-ylmethyl)carbamimidate
CID 7347971
N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide
CID 24787414
3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
CID 19685646
2-ethoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(3-fluorobenzoyl)carbamimidate
CID 7349979
3-fluoro-N-[N-phenyl-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818460
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745

Frequently Asked Questions

What is the IUPAC name of propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate?
The IUPAC name of propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate (CID 4131696) is propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate.
What is the SMILES notation for propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate?
The canonical SMILES for propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate is CCCO/C(=N\Cc1ccccc1)NC(=O)c1cccc(F)c1.
What is the InChIKey of propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate?
The InChIKey is ULJNIXASJUOLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-2-11-23-18(20-13-14-7-4-3-5-8-14)21-17(22)15-9-6-10-16(19)12-15/h3-10,12H,2,11,13H2,1H3,(H,20,21,22).
What are the key properties of propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate?
propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate has a molecular weight of 314.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N'-benzyl-N-(3-fluorobenzoyl)carbamimidate is sourced from PubChem (CID 4131696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).