1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea

C13H15BrFN3O2 — CID 75381103

IUPAC1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C13H15BrFN3O2/c1-8(19)18-3-2-11(7-18)16-13(20)17-12-5-9(14)4-10(15)6-12/h4-6,11H,2-3,7H2,1H3,(H2,16,17,20)
InChIKeyNIMPOWVNLZDLAS-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.33
Rot. Bonds2

About 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea

1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea (PubChem CID 75381103) has the molecular formula C13H15BrFN3O2 and a molecular weight of 344.18 g/mol. Its IUPAC name is 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea
PubChem CID75381103
Molecular FormulaC13H15BrFN3O2
Molecular Weight344.18 g/mol
Exact Mass343.03
IUPAC Name1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C13H15BrFN3O2/c1-8(19)18-3-2-11(7-18)16-13(20)17-12-5-9(14)4-10(15)6-12/h4-6,11H,2-3,7H2,1H3,(H2,16,17,20)
InChIKeyNIMPOWVNLZDLAS-UHFFFAOYSA-N
XLogP2.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea 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

1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide
CID 110671730
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(1-methylpiperidin-3-yl)urea
CID 77452274
N-[1-(4-bromo-2-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 113402341
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
CID 95288232

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea?
The IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea (CID 75381103) is 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea.
What is the SMILES notation for 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea?
The canonical SMILES for 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea is CC(=O)N1CCC(NC(=O)Nc2cc(F)cc(Br)c2)C1.
What is the InChIKey of 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea?
The InChIKey is NIMPOWVNLZDLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O2/c1-8(19)18-3-2-11(7-18)16-13(20)17-12-5-9(14)4-10(15)6-12/h4-6,11H,2-3,7H2,1H3,(H2,16,17,20).
What are the key properties of 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea?
1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea has a molecular weight of 344.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea is sourced from PubChem (CID 75381103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).