1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea

C21H24BrN3O2 — CID 112838043

IUPAC1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCC(Cc1ccc(Br)cc1)NC(=O)Nc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C21H24BrN3O2/c1-15(13-16-4-8-18(22)9-5-16)23-21(27)24-19-10-6-17(7-11-19)14-25-12-2-3-20(25)26/h4-11,15H,2-3,12-14H2,1H3,(H2,23,24,27)
InChIKeyHFKGGVNQRZYJGK-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.32
Rot. Bonds6

About 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea

1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea (PubChem CID 112838043) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
PubChem CID112838043
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCC(Cc1ccc(Br)cc1)NC(=O)Nc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C21H24BrN3O2/c1-15(13-16-4-8-18(22)9-5-16)23-21(27)24-19-10-6-17(7-11-19)14-25-12-2-3-20(25)26/h4-11,15H,2-3,12-14H2,1H3,(H2,23,24,27)
InChIKeyHFKGGVNQRZYJGK-UHFFFAOYSA-N
XLogP4.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea with MolForge

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Related Compounds

1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421
[2-(4-bromoanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 18776364
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 99940050
1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 94784827
1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78890347
2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119285117
1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78887435
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892306
N-[1-(4-bromophenyl)propan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55717101
2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 111536754

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea (CID 112838043) is 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea is CC(Cc1ccc(Br)cc1)NC(=O)Nc1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The InChIKey is HFKGGVNQRZYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-15(13-16-4-8-18(22)9-5-16)23-21(27)24-19-10-6-17(7-11-19)14-25-12-2-3-20(25)26/h4-11,15H,2-3,12-14H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea has a molecular weight of 430.35 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 112838043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).