1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea

C16H17BrN2O — CID 25236910

IUPAC1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-2-13-7-3-4-9-15(13)19-16(20)18-11-12-6-5-8-14(17)10-12/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyMZOFEPGTJVLPKB-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.33
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea

1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea (PubChem CID 25236910) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea
PubChem CID25236910
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-2-13-7-3-4-9-15(13)19-16(20)18-11-12-6-5-8-14(17)10-12/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyMZOFEPGTJVLPKB-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
CID 108884702
1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
CID 108898949
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
1-[(3-bromophenyl)methyl]-3-(2-phenylsulfanylphenyl)urea
CID 108898844
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
1-[(3-bromophenyl)methyl]-3-[4-(diethylamino)phenyl]urea
CID 108898942
1-[(3-bromophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898870
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea (CID 25236910) is 1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)NCc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea?
The InChIKey is MZOFEPGTJVLPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-2-13-7-3-4-9-15(13)19-16(20)18-11-12-6-5-8-14(17)10-12/h3-10H,2,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea?
1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea has a molecular weight of 333.23 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea is sourced from PubChem (CID 25236910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).