1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea

C17H19BrN2O3 — CID 112975399

IUPAC1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
SMILESCOc1cc(C)ccc1OCCNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O3/c1-12-6-7-15(16(10-12)22-2)23-9-8-19-17(21)20-14-5-3-4-13(18)11-14/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyINRNZVPWQVIMKM-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.97
Rot. Bonds6

About 1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea

1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea (PubChem CID 112975399) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
PubChem CID112975399
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
SMILESCOc1cc(C)ccc1OCCNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O3/c1-12-6-7-15(16(10-12)22-2)23-9-8-19-17(21)20-14-5-3-4-13(18)11-14/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyINRNZVPWQVIMKM-UHFFFAOYSA-N
XLogP3.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea
CID 112975367
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
1-(3-chloro-4-fluorophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975360
1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 112971232
1-(4-bromo-3-methylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971484
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973708
1-(4-bromophenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976900
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975273
1-[2-(3-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971202
1-(3-bromo-4-methylphenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976901

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea (CID 112975399) is 1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea is COc1cc(C)ccc1OCCNC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea?
The InChIKey is INRNZVPWQVIMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-12-6-7-15(16(10-12)22-2)23-9-8-19-17(21)20-14-5-3-4-13(18)11-14/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea?
1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea has a molecular weight of 379.25 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112975399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).