1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea

C18H15BrN2O — CID 108884702

IUPAC1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
SMILESO=C(NCc1cccc(Br)c1)Nc1cccc2ccccc12
InChIInChI=1S/C18H15BrN2O/c19-15-8-3-5-13(11-15)12-20-18(22)21-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12H2,(H2,20,21,22)
InChIKeyKPMCVKBALXMNNJ-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.92
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea

1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea (PubChem CID 108884702) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
PubChem CID108884702
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
SMILESO=C(NCc1cccc(Br)c1)Nc1cccc2ccccc12
InChIInChI=1S/C18H15BrN2O/c19-15-8-3-5-13(11-15)12-20-18(22)21-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12H2,(H2,20,21,22)
InChIKeyKPMCVKBALXMNNJ-UHFFFAOYSA-N
XLogP4.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea
CID 25236910
1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
CID 108898949
1-[(3-bromophenyl)methyl]-3-(2-phenylsulfanylphenyl)urea
CID 108898844
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
1-[(3-bromophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898870
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
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-naphthalen-1-ylurea?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea (CID 108884702) is 1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea is O=C(NCc1cccc(Br)c1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea?
The InChIKey is KPMCVKBALXMNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c19-15-8-3-5-13(11-15)12-20-18(22)21-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12H2,(H2,20,21,22).
What are the key properties of 1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea?
1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea has a molecular weight of 355.24 g/mol, XLogP of 4.92, 3 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-naphthalen-1-ylurea is sourced from PubChem (CID 108884702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).