3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea

C20H23BrN2O2 — CID 86943826

IUPAC3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
SMILESO=C(NC1CC1c1ccccc1Br)N(CCO)CCc1ccccc1
InChIInChI=1S/C20H23BrN2O2/c21-18-9-5-4-8-16(18)17-14-19(17)22-20(25)23(12-13-24)11-10-15-6-2-1-3-7-15/h1-9,17,19,24H,10-14H2,(H,22,25)
InChIKeyHCOOFXJASSKISI-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.55
Rot. Bonds7

About 3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea

3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea (PubChem CID 86943826) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
PubChem CID86943826
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
SMILESO=C(NC1CC1c1ccccc1Br)N(CCO)CCc1ccccc1
InChIInChI=1S/C20H23BrN2O2/c21-18-9-5-4-8-16(18)17-14-19(17)22-20(25)23(12-13-24)11-10-15-6-2-1-3-7-15/h1-9,17,19,24H,10-14H2,(H,22,25)
InChIKeyHCOOFXJASSKISI-UHFFFAOYSA-N
XLogP3.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
CID 166359384
1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 95934166
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide
CID 100649749
1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-phenylcyclopropyl)urea
CID 71937230
1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea
CID 111121985
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
CID 47764929
1-benzyl-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)urea
CID 110894883
1,1,3-tris(2-phenylethyl)urea
CID 123287811
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea
CID 86943757
1-benzyl-1-(2-hydroxyethyl)-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913070
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea?
The IUPAC name of 3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea (CID 86943826) is 3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea?
The canonical SMILES for 3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea is O=C(NC1CC1c1ccccc1Br)N(CCO)CCc1ccccc1.
What is the InChIKey of 3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea?
The InChIKey is HCOOFXJASSKISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c21-18-9-5-4-8-16(18)17-14-19(17)22-20(25)23(12-13-24)11-10-15-6-2-1-3-7-15/h1-9,17,19,24H,10-14H2,(H,22,25).
What are the key properties of 3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea?
3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea has a molecular weight of 403.32 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea is sourced from PubChem (CID 86943826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).