1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea

C20H22BrN3O2 — CID 42703097

IUPAC1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESO=C(Nc1ccccc1Br)NC(Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C20H22BrN3O2/c21-16-10-4-5-11-17(16)22-20(26)23-18(14-15-8-2-1-3-9-15)19(25)24-12-6-7-13-24/h1-5,8-11,18H,6-7,12-14H2,(H2,22,23,26)
InChIKeyXQEQMGNXHXLUTJ-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.80
Rot. Bonds5

About 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea

1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea (PubChem CID 42703097) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea
PubChem CID42703097
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESO=C(Nc1ccccc1Br)NC(Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C20H22BrN3O2/c21-16-10-4-5-11-17(16)22-20(26)23-18(14-15-8-2-1-3-9-15)19(25)24-12-6-7-13-24/h1-5,8-11,18H,6-7,12-14H2,(H2,22,23,26)
InChIKeyXQEQMGNXHXLUTJ-UHFFFAOYSA-N
XLogP3.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)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-(2-bromophenyl)-3-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 46383608
1-[2,6-di(propan-2-yl)phenyl]-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 42703100
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
1-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-(2-methoxyphenyl)urea
CID 42697179
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
N-benzyl-2-[(2-bromophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42704142
2-[(2-bromophenyl)carbamoylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 5008669
(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191334

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea (CID 42703097) is 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea is O=C(Nc1ccccc1Br)NC(Cc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
The InChIKey is XQEQMGNXHXLUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c21-16-10-4-5-11-17(16)22-20(26)23-18(14-15-8-2-1-3-9-15)19(25)24-12-6-7-13-24/h1-5,8-11,18H,6-7,12-14H2,(H2,22,23,26).
What are the key properties of 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea?
1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea has a molecular weight of 416.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 42703097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).