1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea

C16H17BrN2O2 — CID 31770982

IUPAC1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
SMILESCOc1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-19(11-12-7-9-13(17)10-8-12)16(20)18-14-5-3-4-6-15(14)21-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyALXBJHYMDBFZCZ-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.12
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea

1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea (PubChem CID 31770982) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
PubChem CID31770982
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
SMILESCOc1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-19(11-12-7-9-13(17)10-8-12)16(20)18-14-5-3-4-6-15(14)21-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyALXBJHYMDBFZCZ-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 55570707
1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea
CID 86856279
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86988400
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea
CID 63766734
(4-bromophenyl)methyl 4-(2-methoxyanilino)-4-oxobutanoate
CID 1297873
1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 60543799
3-[3-bromo-2-(methoxymethyl)phenyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 60616564
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987
1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea
CID 108988904
1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-nitrophenyl)urea
CID 17408467

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea (CID 31770982) is 1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea is COc1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea?
The InChIKey is ALXBJHYMDBFZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-19(11-12-7-9-13(17)10-8-12)16(20)18-14-5-3-4-6-15(14)21-2/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea?
1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea has a molecular weight of 349.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 31770982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).