1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea

C17H16BrN3O2 — CID 7513457

IUPAC1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Br)cc1)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H16BrN3O2/c18-12-6-8-13(9-7-12)19-17(23)20-14-10-16(22)21(11-14)15-4-2-1-3-5-15/h1-9,14H,10-11H2,(H2,19,20,23)/t14-/m1/s1
InChIKeyIRWONQOADJTTMV-CQSZACIVSA-N
MW374.24 g/mol
LogP3.38
Rot. Bonds3

About 1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea

1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 7513457) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID7513457
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Br)cc1)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H16BrN3O2/c18-12-6-8-13(9-7-12)19-17(23)20-14-10-16(22)21(11-14)15-4-2-1-3-5-15/h1-9,14H,10-11H2,(H2,19,20,23)/t14-/m1/s1
InChIKeyIRWONQOADJTTMV-CQSZACIVSA-N
XLogP3.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564143
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564279
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
1-(4-bromophenyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543479
1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 7513471
1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969485
N-[3-[(5-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 18564099
1-(1,3-benzodioxol-5-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7209067
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea
CID 7513892
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338
1-(3-bromophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513862

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea (CID 7513457) is 1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea is O=C(Nc1ccc(Br)cc1)N[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is IRWONQOADJTTMV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c18-12-6-8-13(9-7-12)19-17(23)20-14-10-16(22)21(11-14)15-4-2-1-3-5-15/h1-9,14H,10-11H2,(H2,19,20,23)/t14-/m1/s1.
What are the key properties of 1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 374.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 7513457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).