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

C17H19BrN2O2 — CID 78874633

IUPAC3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccccc1CN(C)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-12-8-9-14(10-15(12)18)19-17(21)20(2)11-13-6-4-5-7-16(13)22-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyCWZQGVWGHZIHCO-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.43
Rot. Bonds4

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

3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea (PubChem CID 78874633) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea
PubChem CID78874633
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccccc1CN(C)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-12-8-9-14(10-15(12)18)19-17(21)20(2)11-13-6-4-5-7-16(13)22-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyCWZQGVWGHZIHCO-UHFFFAOYSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-bromo-4-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108985379
N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998363
1-(1,3-benzothiazol-2-ylmethyl)-3-(3-bromo-4-methylphenyl)-1-methylurea
CID 78874737
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea
CID 55696349
N-[2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 51118769
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
3-(3-chloro-4-methylphenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 2476713
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea (CID 78874633) is 3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea is COc1ccccc1CN(C)C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is CWZQGVWGHZIHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-12-8-9-14(10-15(12)18)19-17(21)20(2)11-13-6-4-5-7-16(13)22-3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea?
3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 363.26 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 78874633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).