1-(5-bromonaphthalen-2-yl)-3-methylurea

C12H11BrN2O — CID 146021922

IUPAC1-(5-bromonaphthalen-2-yl)-3-methylurea
SMILESCNC(=O)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C12H11BrN2O/c1-14-12(16)15-9-5-6-10-8(7-9)3-2-4-11(10)13/h2-7H,1H3,(H2,14,15,16)
InChIKeyNSLHOYZUIKSZHW-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.35
Rot. Bonds1

About 1-(5-bromonaphthalen-2-yl)-3-methylurea

1-(5-bromonaphthalen-2-yl)-3-methylurea (PubChem CID 146021922) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 1-(5-bromonaphthalen-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(5-bromonaphthalen-2-yl)-3-methylurea
PubChem CID146021922
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name1-(5-bromonaphthalen-2-yl)-3-methylurea
SMILESCNC(=O)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C12H11BrN2O/c1-14-12(16)15-9-5-6-10-8(7-9)3-2-4-11(10)13/h2-7H,1H3,(H2,14,15,16)
InChIKeyNSLHOYZUIKSZHW-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea
CID 146022095
N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 146021959
N-(5-bromonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide
CID 146022091
N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 146022041
N-(5-bromonaphthalen-2-yl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 146022021
N-(5-bromonaphthalen-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 146021965
1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512082
N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide
CID 146022047
N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 146021962
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromonaphthalen-2-yl)-3-methylurea?
The IUPAC name of 1-(5-bromonaphthalen-2-yl)-3-methylurea (CID 146021922) is 1-(5-bromonaphthalen-2-yl)-3-methylurea.
What is the SMILES notation for 1-(5-bromonaphthalen-2-yl)-3-methylurea?
The canonical SMILES for 1-(5-bromonaphthalen-2-yl)-3-methylurea is CNC(=O)Nc1ccc2c(Br)cccc2c1.
What is the InChIKey of 1-(5-bromonaphthalen-2-yl)-3-methylurea?
The InChIKey is NSLHOYZUIKSZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-14-12(16)15-9-5-6-10-8(7-9)3-2-4-11(10)13/h2-7H,1H3,(H2,14,15,16).
What are the key properties of 1-(5-bromonaphthalen-2-yl)-3-methylurea?
1-(5-bromonaphthalen-2-yl)-3-methylurea has a molecular weight of 279.14 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromonaphthalen-2-yl)-3-methylurea is sourced from PubChem (CID 146021922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).