1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea

C11H15BrN2O3 — CID 108894240

IUPAC1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
SMILESCOCCOCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O3/c1-16-6-7-17-8-13-11(15)14-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H2,13,14,15)
InChIKeyKTPRDNAHDNIYDC-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.19
Rot. Bonds6

About 1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea

1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea (PubChem CID 108894240) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
PubChem CID108894240
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
SMILESCOCCOCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O3/c1-16-6-7-17-8-13-11(15)14-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H2,13,14,15)
InChIKeyKTPRDNAHDNIYDC-UHFFFAOYSA-N
XLogP2.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894361
1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
CID 108894310
1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
CID 108894459
1-[2-(4-bromophenyl)ethyl]-3-(2-methoxyethoxymethyl)urea
CID 108894589
1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892052
methyl 3-[(4-bromophenyl)carbamoylamino]propanoate
CID 47361141
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide
CID 3114000
tert-butyl N-[2-[2-[(4-bromophenyl)carbamoylamino]ethoxy]ethyl]carbamate
CID 165430538
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide
CID 112980909

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea (CID 108894240) is 1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea is COCCOCNC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea?
The InChIKey is KTPRDNAHDNIYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-16-6-7-17-8-13-11(15)14-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea?
1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea has a molecular weight of 303.16 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea is sourced from PubChem (CID 108894240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).