1-(2-bromophenyl)-1-phenylurea;3-phenylphenol

C25H21BrN2O2 — CID 174458019

IUPAC1-(2-bromophenyl)-1-phenylurea;3-phenylphenol
SMILESNC(=O)N(c1ccccc1)c1ccccc1Br.Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H11BrN2O.C12H10O/c14-11-8-4-5-9-12(11)16(13(15)17)10-6-2-1-3-7-10;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H2,15,17);1-9,13H
InChIKeyQBSMZFNIVUFMSO-UHFFFAOYSA-N
MW461.36 g/mol
LogP6.73
Rot. Bonds3

About 1-(2-bromophenyl)-1-phenylurea;3-phenylphenol

1-(2-bromophenyl)-1-phenylurea;3-phenylphenol (PubChem CID 174458019) has the molecular formula C25H21BrN2O2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-phenylurea;3-phenylphenol.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-phenylurea;3-phenylphenol
PubChem CID174458019
Molecular FormulaC25H21BrN2O2
Molecular Weight461.36 g/mol
Exact Mass460.08
IUPAC Name1-(2-bromophenyl)-1-phenylurea;3-phenylphenol
SMILESNC(=O)N(c1ccccc1)c1ccccc1Br.Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H11BrN2O.C12H10O/c14-11-8-4-5-9-12(11)16(13(15)17)10-6-2-1-3-7-10;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H2,15,17);1-9,13H
InChIKeyQBSMZFNIVUFMSO-UHFFFAOYSA-N
XLogP6.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
1,1-diphenylurea
CID 174849888
octalen-2-ol
CID 174999308
1-(2-fluorophenyl)-1-phenylurea
CID 150840267
2-(N-carbamoylanilino)benzamide
CID 68726010
N-carbamoyl-N-(3-phenylphenyl)formamide
CID 91260072
2-(N-acetyl-3-phenylanilino)benzamide
CID 90461345
1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea
CID 154014971
butane;1,1-diphenylurea
CID 70397101
2-bromo-6-(3-hydroxy-N-methylanilino)benzenecarbothioamide
CID 107735485
(N-(3-hydroxyphenyl)anilino)urea
CID 54130372
1-benzyl-1-(2-bromophenyl)urea
CID 102405499

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-phenylurea;3-phenylphenol?
The IUPAC name of 1-(2-bromophenyl)-1-phenylurea;3-phenylphenol (CID 174458019) is 1-(2-bromophenyl)-1-phenylurea;3-phenylphenol.
What is the SMILES notation for 1-(2-bromophenyl)-1-phenylurea;3-phenylphenol?
The canonical SMILES for 1-(2-bromophenyl)-1-phenylurea;3-phenylphenol is NC(=O)N(c1ccccc1)c1ccccc1Br.Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(2-bromophenyl)-1-phenylurea;3-phenylphenol?
The InChIKey is QBSMZFNIVUFMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O.C12H10O/c14-11-8-4-5-9-12(11)16(13(15)17)10-6-2-1-3-7-10;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H2,15,17);1-9,13H.
What are the key properties of 1-(2-bromophenyl)-1-phenylurea;3-phenylphenol?
1-(2-bromophenyl)-1-phenylurea;3-phenylphenol has a molecular weight of 461.36 g/mol, XLogP of 6.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-phenylurea;3-phenylphenol is sourced from PubChem (CID 174458019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).