1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea

C15H17BrN2O2 — CID 71937795

IUPAC1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1cc(Br)cc(C)c1NC(=O)NCc1ccoc1C
InChIInChI=1S/C15H17BrN2O2/c1-9-6-13(16)7-10(2)14(9)18-15(19)17-8-12-4-5-20-11(12)3/h4-7H,8H2,1-3H3,(H2,17,18,19)
InChIKeyRCQUFYZKLFMYQI-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.29
Rot. Bonds3

About 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea

1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 71937795) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea
PubChem CID71937795
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1cc(Br)cc(C)c1NC(=O)NCc1ccoc1C
InChIInChI=1S/C15H17BrN2O2/c1-9-6-13(16)7-10(2)14(9)18-15(19)17-8-12-4-5-20-11(12)3/h4-7H,8H2,1-3H3,(H2,17,18,19)
InChIKeyRCQUFYZKLFMYQI-UHFFFAOYSA-N
XLogP4.29
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-dimethylphenyl)-3-[(2,4-dimethylphenyl)methyl]urea
CID 52663906
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47237413
1-(4-bromo-2,6-dimethylphenyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 55748072
(2-methylfuran-3-yl)methylurea
CID 130639643
1-(4-bromo-2,6-dimethylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 47375852
N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 60794252
3-[(4-bromo-2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 103235408
1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 60569703
1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 96530805
1-(1,3-benzothiazol-2-ylmethyl)-3-(4-bromo-2,6-dimethylphenyl)urea
CID 55748105
1-(4-bromo-2,6-dimethylphenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
CID 3670010
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxypentyl)urea
CID 111431387

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea?
The IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea (CID 71937795) is 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea?
The canonical SMILES for 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea is Cc1cc(Br)cc(C)c1NC(=O)NCc1ccoc1C.
What is the InChIKey of 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea?
The InChIKey is RCQUFYZKLFMYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-6-13(16)7-10(2)14(9)18-15(19)17-8-12-4-5-20-11(12)3/h4-7H,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea?
1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 337.22 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 71937795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).