1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea

C14H14BrN3O2 — CID 43551408

IUPAC1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C14H14BrN3O2/c1-20-11-5-3-10(4-6-11)17-14(19)18-13-7-2-9(16)8-12(13)15/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyJDDAMPPBQAVMGJ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.68
Rot. Bonds3

About 1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea

1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea (PubChem CID 43551408) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
PubChem CID43551408
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C14H14BrN3O2/c1-20-11-5-3-10(4-6-11)17-14(19)18-13-7-2-9(16)8-12(13)15/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyJDDAMPPBQAVMGJ-UHFFFAOYSA-N
XLogP3.68
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
CID 43551396
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide
CID 43549510
(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 100829899
N-(4-amino-2-bromophenyl)-3,5-dimethoxybenzamide
CID 43549583
1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 43806631
2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
CID 639703
1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea
CID 86768816
1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
methyl 4-[(2-bromo-4-methylphenyl)carbamoylamino]benzoate
CID 108992383

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea (CID 43551408) is 1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(N)cc2Br)cc1.
What is the InChIKey of 1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea?
The InChIKey is JDDAMPPBQAVMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-11-5-3-10(4-6-11)17-14(19)18-13-7-2-9(16)8-12(13)15/h2-8H,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea?
1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea has a molecular weight of 336.19 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 43551408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).