1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea

C16H16BrFN2O2 — CID 47069290

IUPAC1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
SMILESCOc1cc(Br)cc(C)c1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H16BrFN2O2/c1-10-7-12(17)8-14(22-2)15(10)20-16(21)19-9-11-3-5-13(18)6-4-11/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyFDJHQGUPXOBYRL-UHFFFAOYSA-N
MW367.22 g/mol
LogP4.23
Rot. Bonds4

About 1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea

1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea (PubChem CID 47069290) has the molecular formula C16H16BrFN2O2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
PubChem CID47069290
Molecular FormulaC16H16BrFN2O2
Molecular Weight367.22 g/mol
Exact Mass366.04
IUPAC Name1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
SMILESCOc1cc(Br)cc(C)c1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H16BrFN2O2/c1-10-7-12(17)8-14(22-2)15(10)20-16(21)19-9-11-3-5-13(18)6-4-11/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyFDJHQGUPXOBYRL-UHFFFAOYSA-N
XLogP4.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585
1-[(4-bromophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866786
N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63122221
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline
CID 54864255
3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
CID 106545841
1-(2,4-difluoro-6-methoxyphenyl)-3-[[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]methyl]urea
CID 22924132
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 167908208

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea (CID 47069290) is 1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea is COc1cc(Br)cc(C)c1NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is FDJHQGUPXOBYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O2/c1-10-7-12(17)8-14(22-2)15(10)20-16(21)19-9-11-3-5-13(18)6-4-11/h3-8H,9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea?
1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 367.22 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 47069290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).