1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea

C15H15BrN2O3 — CID 108871145

IUPAC1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(Br)c1)Oc1ccc(O)cc1
InChIInChI=1S/C15H15BrN2O3/c1-10(21-14-7-5-13(19)6-8-14)17-15(20)18-12-4-2-3-11(16)9-12/h2-10,19H,1H3,(H2,17,18,20)
InChIKeyJVJHNFSERCQBLX-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.70
Rot. Bonds4

About 1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea

1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea (PubChem CID 108871145) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
PubChem CID108871145
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(Br)c1)Oc1ccc(O)cc1
InChIInChI=1S/C15H15BrN2O3/c1-10(21-14-7-5-13(19)6-8-14)17-15(20)18-12-4-2-3-11(16)9-12/h2-10,19H,1H3,(H2,17,18,20)
InChIKeyJVJHNFSERCQBLX-UHFFFAOYSA-N
XLogP3.70
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878820
3-[1-(4-chlorophenoxy)ethylcarbamoylamino]benzoic acid
CID 108879707
1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
CID 108871109
1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea
CID 108871152
1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108870935
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55696724
methyl 2-[(3-bromophenyl)carbamoylamino]-3-methylpentanoate
CID 5225166
(2S)-N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9172441
methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
CID 108871066
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea (CID 108871145) is 1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea is CC(NC(=O)Nc1cccc(Br)c1)Oc1ccc(O)cc1.
What is the InChIKey of 1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea?
The InChIKey is JVJHNFSERCQBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10(21-14-7-5-13(19)6-8-14)17-15(20)18-12-4-2-3-11(16)9-12/h2-10,19H,1H3,(H2,17,18,20).
What are the key properties of 1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea?
1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea has a molecular weight of 351.20 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea is sourced from PubChem (CID 108871145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).