1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea

C16H17BrN2O2 — CID 108897435

IUPAC1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-13(7-8-14(11)17)19-16(20)18-10-12-5-3-4-6-15(12)21-2/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyNMUOXEUJIXOPGX-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea

1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 108897435) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
PubChem CID108897435
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-13(7-8-14(11)17)19-16(20)18-10-12-5-3-4-6-15(12)21-2/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyNMUOXEUJIXOPGX-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531641
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 100591089
1-(4-bromo-3-methylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971484
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087564
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
1-(4-bromo-3-methylphenyl)-3-(2,2-dimethoxyethyl)urea
CID 127586988
1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38215828
N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998363
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea (CID 108897435) is 1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is NMUOXEUJIXOPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-9-13(7-8-14(11)17)19-16(20)18-10-12-5-3-4-6-15(12)21-2/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea?
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 349.23 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108897435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).