1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea

C22H21BrN2O — CID 108902393

IUPAC1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
SMILESO=C(NCCc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21BrN2O/c23-20-13-11-18(12-14-20)15-16-24-22(26)25(21-9-5-2-6-10-21)17-19-7-3-1-4-8-19/h1-14H,15-17H2,(H,24,26)
InChIKeyOFBUQANFAVPHME-UHFFFAOYSA-N
MW409.33 g/mol
LogP5.41
Rot. Bonds6

About 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea

1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea (PubChem CID 108902393) has the molecular formula C22H21BrN2O and a molecular weight of 409.33 g/mol. Its IUPAC name is 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea.

Molecular Properties

Compound Name1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
PubChem CID108902393
Molecular FormulaC22H21BrN2O
Molecular Weight409.33 g/mol
Exact Mass408.08
IUPAC Name1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
SMILESO=C(NCCc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21BrN2O/c23-20-13-11-18(12-14-20)15-16-24-22(26)25(21-9-5-2-6-10-21)17-19-7-3-1-4-8-19/h1-14H,15-17H2,(H,24,26)
InChIKeyOFBUQANFAVPHME-UHFFFAOYSA-N
XLogP5.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-bromophenyl)ethyl]-1-phenyl-1-sulfanylurea
CID 173263614
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
CID 108902247
N-benzyl-2-(4-bromophenyl)-N-phenylacetamide
CID 18281131
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
CID 108900086
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901655
1-benzyl-3-[3-(4-bromo-2-chlorophenoxy)propyl]-1-phenylurea
CID 108882491
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
1-benzyl-3-(phenoxymethyl)-1-phenylurea
CID 108888948

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea?
The IUPAC name of 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea (CID 108902393) is 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea.
What is the SMILES notation for 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea?
The canonical SMILES for 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea is O=C(NCCc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea?
The InChIKey is OFBUQANFAVPHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O/c23-20-13-11-18(12-14-20)15-16-24-22(26)25(21-9-5-2-6-10-21)17-19-7-3-1-4-8-19/h1-14H,15-17H2,(H,24,26).
What are the key properties of 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea?
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea has a molecular weight of 409.33 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea is sourced from PubChem (CID 108902393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).