1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea

C18H22BrN3O2 — CID 44534283

IUPAC1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1OCCN(C)C
InChIInChI=1S/C18H22BrN3O2/c1-13-4-7-16(12-17(13)24-11-10-22(2)3)21-18(23)20-15-8-5-14(19)6-9-15/h4-9,12H,10-11H2,1-3H3,(H2,20,21,23)
InChIKeySBNBAMMCWOZYTF-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.34
Rot. Bonds6

About 1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea

1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea (PubChem CID 44534283) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea
PubChem CID44534283
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1OCCN(C)C
InChIInChI=1S/C18H22BrN3O2/c1-13-4-7-16(12-17(13)24-11-10-22(2)3)21-18(23)20-15-8-5-14(19)6-9-15/h4-9,12H,10-11H2,1-3H3,(H2,20,21,23)
InChIKeySBNBAMMCWOZYTF-UHFFFAOYSA-N
XLogP4.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25015205
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]urea
CID 57401670
1-(4-Bromophenyl)-3-[[2,5-diethoxy-4-(methanesulfonamido)phenyl]methyl]urea
CID 122182193
1-(4-Bromo-3-methylphenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]urea;hydrochloride
CID 44533219
1-[3-[2-(Dimethylamino)ethoxy]-4-iodophenyl]-3-(4-phenylphenyl)urea
CID 44533278
3-(4-Bromophenyl)-1-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1-[(2-methoxyphenyl)methyl]urea
CID 44536208
N-[(2-bromophenyl)methyl]-3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)aniline
CID 71717139
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea
CID 49853564
1-(4-Bromo-3-methylphenyl)-3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-YL)urea
CID 16030575
1-(3-pentoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 71455779
N-(4-bromo-2-methylphenyl)-N'-(2-ethoxyphenyl)urea
CID 971068

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea (CID 44534283) is 1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea is Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1OCCN(C)C.
What is the InChIKey of 1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea?
The InChIKey is SBNBAMMCWOZYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-13-4-7-16(12-17(13)24-11-10-22(2)3)21-18(23)20-15-8-5-14(19)6-9-15/h4-9,12H,10-11H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea?
1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea has a molecular weight of 392.30 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea is sourced from PubChem (CID 44534283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).