1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea

C18H22BrN3O — CID 24768237

IUPAC1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1C
InChIInChI=1S/C18H22BrN3O/c1-3-22(17-11-7-4-8-14(17)2)13-12-20-18(23)21-16-10-6-5-9-15(16)19/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyBDQHQJKBTJXSOV-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.41
Rot. Bonds6

About 1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea

1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea (PubChem CID 24768237) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea
PubChem CID24768237
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1C
InChIInChI=1S/C18H22BrN3O/c1-3-22(17-11-7-4-8-14(17)2)13-12-20-18(23)21-16-10-6-5-9-15(16)19/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyBDQHQJKBTJXSOV-UHFFFAOYSA-N
XLogP4.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 9842609
1-Benzyl-1-methyl-3-phenylurea
CID 306455
1-(3-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3498030
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-methylphenyl)urea
CID 4996665
1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea
CID 10177660
1-(2-bromophenyl)-3-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]urea
CID 10199387
1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 10222094
1-(2-bromophenyl)-3-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]urea
CID 10294155
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
CID 24768227
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluorophenyl)urea
CID 24768228
1-(2-Bromophenyl)-3-{2-[ethyl(phenyl)amino]ethyl}urea
CID 24768236

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea (CID 24768237) is 1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea is CCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1C.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea?
The InChIKey is BDQHQJKBTJXSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-3-22(17-11-7-4-8-14(17)2)13-12-20-18(23)21-16-10-6-5-9-15(16)19/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea?
1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea has a molecular weight of 376.30 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]urea is sourced from PubChem (CID 24768237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).