1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea

C19H23BrN2O3 — CID 108868804

IUPAC1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)Nc2ccccc2Br)cc1OCC
InChIInChI=1S/C19H23BrN2O3/c1-3-24-17-10-9-14(13-18(17)25-4-2)11-12-21-19(23)22-16-8-6-5-7-15(16)20/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyZINZVPZXWXDZEI-UHFFFAOYSA-N
MW407.31 g/mol
LogP4.61
Rot. Bonds8

About 1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea

1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea (PubChem CID 108868804) has the molecular formula C19H23BrN2O3 and a molecular weight of 407.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
PubChem CID108868804
Molecular FormulaC19H23BrN2O3
Molecular Weight407.31 g/mol
Exact Mass406.09
IUPAC Name1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)Nc2ccccc2Br)cc1OCC
InChIInChI=1S/C19H23BrN2O3/c1-3-24-17-10-9-14(13-18(17)25-4-2)11-12-21-19(23)22-16-8-6-5-7-15(16)20/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyZINZVPZXWXDZEI-UHFFFAOYSA-N
XLogP4.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904
1-[2-(3-bromophenyl)ethyl]-3-(3,4-diethoxyphenyl)urea
CID 108901661
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea (CID 108868804) is 1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea is CCOc1ccc(CCNC(=O)Nc2ccccc2Br)cc1OCC.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
The InChIKey is ZINZVPZXWXDZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3/c1-3-24-17-10-9-14(13-18(17)25-4-2)11-12-21-19(23)22-16-8-6-5-7-15(16)20/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea has a molecular weight of 407.31 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea is sourced from PubChem (CID 108868804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).