1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea

C19H23BrN2O4 — CID 60543799

IUPAC1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(OC)c(CNC(=O)N(C)Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C19H23BrN2O4/c1-22(12-13-5-7-14(20)8-6-13)19(23)21-11-16-17(25-3)9-15(24-2)10-18(16)26-4/h5-10H,11-12H2,1-4H3,(H,21,23)
InChIKeyVKECNZQPJKAOOF-UHFFFAOYSA-N
MW423.31 g/mol
LogP3.82
Rot. Bonds7

About 1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea

1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea (PubChem CID 60543799) has the molecular formula C19H23BrN2O4 and a molecular weight of 423.31 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
PubChem CID60543799
Molecular FormulaC19H23BrN2O4
Molecular Weight423.31 g/mol
Exact Mass422.08
IUPAC Name1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(OC)c(CNC(=O)N(C)Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C19H23BrN2O4/c1-22(12-13-5-7-14(20)8-6-13)19(23)21-11-16-17(25-3)9-15(24-2)10-18(16)26-4/h5-10H,11-12H2,1-4H3,(H,21,23)
InChIKeyVKECNZQPJKAOOF-UHFFFAOYSA-N
XLogP3.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
CID 31770982
1-[(4-bromophenyl)methyl]-3-[(2-fluorophenyl)methyl]-1-methylurea
CID 38945216
1-[(4-bromophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]urea
CID 60577065
4-[[[(2,4-dimethoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122019707
N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 9416450
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31145252
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 18078781
1-[(2-bromophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
CID 17430467

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea (CID 60543799) is 1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea is COc1cc(OC)c(CNC(=O)N(C)Cc2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The InChIKey is VKECNZQPJKAOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4/c1-22(12-13-5-7-14(20)8-6-13)19(23)21-11-16-17(25-3)9-15(24-2)10-18(16)26-4/h5-10H,11-12H2,1-4H3,(H,21,23).
What are the key properties of 1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea has a molecular weight of 423.31 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 60543799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).