1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea

C15H18BrN3O — CID 148853205

IUPAC1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea
SMILESCC(C)[C@H](NC(=O)Nc1ccc(Br)cc1)C1=NC=CC1
InChIInChI=1S/C15H18BrN3O/c1-10(2)14(13-4-3-9-17-13)19-15(20)18-12-7-5-11(16)6-8-12/h3,5-10,14H,4H2,1-2H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyOXVZQKJQJNGJSQ-AWEZNQCLSA-N
MW336.23 g/mol
LogP3.95
Rot. Bonds4

About 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea

1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea (PubChem CID 148853205) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea
PubChem CID148853205
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea
SMILESCC(C)[C@H](NC(=O)Nc1ccc(Br)cc1)C1=NC=CC1
InChIInChI=1S/C15H18BrN3O/c1-10(2)14(13-4-3-9-17-13)19-15(20)18-12-7-5-11(16)6-8-12/h3,5-10,14H,4H2,1-2H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyOXVZQKJQJNGJSQ-AWEZNQCLSA-N
XLogP3.95
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea (CID 148853205) is 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea is CC(C)[C@H](NC(=O)Nc1ccc(Br)cc1)C1=NC=CC1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea?
The InChIKey is OXVZQKJQJNGJSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10(2)14(13-4-3-9-17-13)19-15(20)18-12-7-5-11(16)6-8-12/h3,5-10,14H,4H2,1-2H3,(H2,18,19,20)/t14-/m0/s1.
What are the key properties of 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea?
1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea has a molecular weight of 336.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(1S)-2-methyl-1-(3H-pyrrol-2-yl)propyl]urea is sourced from PubChem (CID 148853205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).