1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea

C17H19BrN2O3 — CID 46859910

IUPAC1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea
SMILESCCOc1ccc(OCC)c(NC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C17H19BrN2O3/c1-3-22-14-8-9-16(23-4-2)15(11-14)20-17(21)19-13-7-5-6-12(18)10-13/h5-11H,3-4H2,1-2H3,(H2,19,20,21)
InChIKeyFJRLFCBYCTWTTI-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.89
Rot. Bonds6

About 1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea

1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea (PubChem CID 46859910) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea
PubChem CID46859910
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea
SMILESCCOc1ccc(OCC)c(NC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C17H19BrN2O3/c1-3-22-14-8-9-16(23-4-2)15(11-14)20-17(21)19-13-7-5-6-12(18)10-13/h5-11H,3-4H2,1-2H3,(H2,19,20,21)
InChIKeyFJRLFCBYCTWTTI-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[(2,5-diethoxyphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032890
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide
CID 9490111
1-(3-bromophenyl)-N-(2,5-diethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55875233
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 110930838
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 41397412

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea (CID 46859910) is 1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea is CCOc1ccc(OCC)c(NC(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea?
The InChIKey is FJRLFCBYCTWTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-3-22-14-8-9-16(23-4-2)15(11-14)20-17(21)19-13-7-5-6-12(18)10-13/h5-11H,3-4H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea?
1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea has a molecular weight of 379.25 g/mol, XLogP of 4.89, 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-(2,5-diethoxyphenyl)urea is sourced from PubChem (CID 46859910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).