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

C19H23BrN2O — CID 108901615

IUPAC1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)NCCc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O/c1-3-15-7-9-17(10-8-15)14(2)22-19(23)21-12-11-16-5-4-6-18(20)13-16/h4-10,13-14H,3,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyAZROLZUTEWPJGN-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.61
Rot. Bonds6

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

1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea (PubChem CID 108901615) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea
PubChem CID108901615
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)NCCc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O/c1-3-15-7-9-17(10-8-15)14(2)22-19(23)21-12-11-16-5-4-6-18(20)13-16/h4-10,13-14H,3,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyAZROLZUTEWPJGN-UHFFFAOYSA-N
XLogP4.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-bromophenyl)ethyl]-3-pentan-3-ylurea
CID 108888425
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
(2S,3R)-2-[2-(3-bromophenyl)ethylcarbamoylamino]-N,3-dihydroxybutanamide
CID 44633280
(2R,3S)-2-[2-(3-bromophenyl)ethylcarbamoylamino]-N,3-dihydroxybutanamide
CID 88903963
1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
CID 47024783
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea
CID 95568330
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide
CID 94158544
3-[1-(3-bromophenyl)ethylcarbamoylamino]propanoic acid
CID 54967412
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
1-[2-(4-bromophenyl)ethyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108902279

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea (CID 108901615) is 1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea is CCc1ccc(C(C)NC(=O)NCCc2cccc(Br)c2)cc1.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea?
The InChIKey is AZROLZUTEWPJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-3-15-7-9-17(10-8-15)14(2)22-19(23)21-12-11-16-5-4-6-18(20)13-16/h4-10,13-14H,3,11-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea?
1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea has a molecular weight of 375.31 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea is sourced from PubChem (CID 108901615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).