1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea

C18H18BrN3O2 — CID 108876636

IUPAC1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
SMILESO=C(Nc1ccccc1Br)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H18BrN3O2/c19-15-8-4-5-9-16(15)21-18(24)20-14-10-17(23)22(12-14)11-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H2,20,21,24)
InChIKeyNVBXMEPKZZDFIH-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.37
Rot. Bonds4

About 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea

1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea (PubChem CID 108876636) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
PubChem CID108876636
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
SMILESO=C(Nc1ccccc1Br)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H18BrN3O2/c19-15-8-4-5-9-16(15)21-18(24)20-14-10-17(23)22(12-14)11-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H2,20,21,24)
InChIKeyNVBXMEPKZZDFIH-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
CID 108876522
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
CID 108876657
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-chloro-2-methoxy-5-methylphenyl)urea
CID 108876656
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 97275872
N-(1-benzyl-5-oxopyrrolidin-3-yl)thiomorpholine-4-carboxamide
CID 56826197

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea?
The IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea (CID 108876636) is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea.
What is the SMILES notation for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea?
The canonical SMILES for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea is O=C(Nc1ccccc1Br)NC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea?
The InChIKey is NVBXMEPKZZDFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c19-15-8-4-5-9-16(15)21-18(24)20-14-10-17(23)22(12-14)11-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H2,20,21,24).
What are the key properties of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea?
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea has a molecular weight of 388.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea is sourced from PubChem (CID 108876636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).