(3-bromophenyl)urea

C7H7BrN2O — CID 18129

IUPAC(3-bromophenyl)urea
SMILESNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C7H7BrN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyDHMRSMNEKFDABI-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.94
Rot. Bonds1

About (3-bromophenyl)urea

(3-bromophenyl)urea (PubChem CID 18129) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is (3-bromophenyl)urea.

Molecular Properties

Compound Name(3-bromophenyl)urea
PubChem CID18129
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name(3-bromophenyl)urea
SMILESNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C7H7BrN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyDHMRSMNEKFDABI-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (3-bromophenyl)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

Metobromuron
CID 18290
N-(4-Bromophenyl)urea
CID 16074
Phenylurea
CID 6145
4-Fluorophenylurea
CID 12612
N-(4-Bromophenyl)-N'-methylurea
CID 152311
1-(4-Bromophenyl)-3-methoxyurea
CID 5119115
3-(4-Bromophenyl)-1,1-dimethylurea
CID 18870
3-(4-Bromophenyl)-1,1-diethylurea
CID 735609
Thiourea, (2-bromophenyl)-
CID 2735618
N-(3-Bromophenyl)acetamide
CID 12123
1-((4-Bromophenyl)carbamoyl)piperidine
CID 694497
1-(2-Bromophenyl)-3-phenylurea
CID 765466

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)urea?
The IUPAC name of (3-bromophenyl)urea (CID 18129) is (3-bromophenyl)urea.
What is the SMILES notation for (3-bromophenyl)urea?
The canonical SMILES for (3-bromophenyl)urea is NC(=O)Nc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)urea?
The InChIKey is DHMRSMNEKFDABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11).
What are the key properties of (3-bromophenyl)urea?
(3-bromophenyl)urea has a molecular weight of 215.05 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)urea is sourced from PubChem (CID 18129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).