1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea

C17H19BrN2O — CID 108894116

IUPAC1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H19BrN2O/c1-12-3-8-16(11-13(12)2)20-17(21)19-10-9-14-4-6-15(18)7-5-14/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyXOJPBDCFQCRWRG-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.43
Rot. Bonds4

About 1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea

1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 108894116) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
PubChem CID108894116
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H19BrN2O/c1-12-3-8-16(11-13(12)2)20-17(21)19-10-9-14-4-6-15(18)7-5-14/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyXOJPBDCFQCRWRG-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108902232
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
CID 55765106
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
1-[2-(4-bromophenyl)ethyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108902269
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-(3-bromo-4-methylphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108989692
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea (CID 108894116) is 1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCCc2ccc(Br)cc2)cc1C.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is XOJPBDCFQCRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-3-8-16(11-13(12)2)20-17(21)19-10-9-14-4-6-15(18)7-5-14/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea?
1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 347.26 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 108894116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).