1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea

C17H19BrN2O3 — CID 55696724

IUPAC1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C17H19BrN2O3/c1-11(15-10-14(22-2)7-8-16(15)23-3)19-17(21)20-13-6-4-5-12(18)9-13/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyZCXURFUEXCODQL-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.35
Rot. Bonds5

About 1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea

1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea (PubChem CID 55696724) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
PubChem CID55696724
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C17H19BrN2O3/c1-11(15-10-14(22-2)7-8-16(15)23-3)19-17(21)20-13-6-4-5-12(18)9-13/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyZCXURFUEXCODQL-UHFFFAOYSA-N
XLogP4.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55695604
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 1298550
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746233
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 29038554
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 97157167
1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 60736302
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554700
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 108869124
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 75477403

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea (CID 55696724) is 1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea is COc1ccc(OC)c(C(C)NC(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The InChIKey is ZCXURFUEXCODQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-11(15-10-14(22-2)7-8-16(15)23-3)19-17(21)20-13-6-4-5-12(18)9-13/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea has a molecular weight of 379.25 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 55696724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).