1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

C17H15BrFN3O2 — CID 18564439

IUPAC1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(Nc1cccc(Br)c1)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H15BrFN3O2/c18-11-2-1-3-13(8-11)20-17(24)21-14-9-16(23)22(10-14)15-6-4-12(19)5-7-15/h1-8,14H,9-10H2,(H2,20,21,24)
InChIKeyNKLZHCHLOVAZEN-UHFFFAOYSA-N
MW392.23 g/mol
LogP3.52
Rot. Bonds3

About 1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 18564439) has the molecular formula C17H15BrFN3O2 and a molecular weight of 392.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID18564439
Molecular FormulaC17H15BrFN3O2
Molecular Weight392.23 g/mol
Exact Mass391.03
IUPAC Name1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(Nc1cccc(Br)c1)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H15BrFN3O2/c18-11-2-1-3-13(8-11)20-17(24)21-14-9-16(23)22(10-14)15-6-4-12(19)5-7-15/h1-8,14H,9-10H2,(H2,20,21,24)
InChIKeyNKLZHCHLOVAZEN-UHFFFAOYSA-N
XLogP3.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513862
N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7548375
1-(3-bromophenyl)-3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 41128706
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338
1-(3-methylphenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513840
1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564438
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
1-[3,5-bis(trifluoromethyl)phenyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970352
N-[3-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 43970217
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 7548209
N-[3-[(5-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 18564099

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 18564439) is 1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is O=C(Nc1cccc(Br)c1)NC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is NKLZHCHLOVAZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O2/c18-11-2-1-3-13(8-11)20-17(24)21-14-9-16(23)22(10-14)15-6-4-12(19)5-7-15/h1-8,14H,9-10H2,(H2,20,21,24).
What are the key properties of 1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 392.23 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 18564439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).