(4-bromophenyl)urea

C7H7BrN2O — CID 16074

IUPAC(4-bromophenyl)urea
SMILESNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyPFQUUCXMPUNRLA-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.94
Rot. Bonds1

About (4-bromophenyl)urea

(4-bromophenyl)urea (PubChem CID 16074) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is (4-bromophenyl)urea.

Molecular Properties

Compound Name(4-bromophenyl)urea
PubChem CID16074
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name(4-bromophenyl)urea
SMILESNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyPFQUUCXMPUNRLA-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

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Related Compounds

4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
N'-(4-bromophenyl)propanediamide
CID 15154636
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
1-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
(2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide
CID 53275070
S-[2-(4-bromoanilino)-2-oxoethyl] carbamothioate
CID 873458
2-bromo-N-(4-bromophenyl)but-2-enamide
CID 54554257
2-bromo-N-[4-(carbamoylamino)phenyl]propanamide
CID 107903880
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
N-(4-bromophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247763
molecular hydrogen;phenylurea
CID 143657584

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)urea?
The IUPAC name of (4-bromophenyl)urea (CID 16074) is (4-bromophenyl)urea.
What is the SMILES notation for (4-bromophenyl)urea?
The canonical SMILES for (4-bromophenyl)urea is NC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)urea?
The InChIKey is PFQUUCXMPUNRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11).
What are the key properties of (4-bromophenyl)urea?
(4-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 (4-bromophenyl)urea is sourced from PubChem (CID 16074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).