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

C13H17BrN2O2 — CID 111458940

IUPAC1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCC1(c2ccccc2Br)CC1
InChIInChI=1S/C13H17BrN2O2/c14-11-4-2-1-3-10(11)13(5-6-13)9-16-12(18)15-7-8-17/h1-4,17H,5-9H2,(H2,15,16,18)
InChIKeyLOVQBEFSJKEKLS-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.77
Rot. Bonds5

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

1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea (PubChem CID 111458940) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
PubChem CID111458940
Molecular FormulaC13H17BrN2O2
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCC1(c2ccccc2Br)CC1
InChIInChI=1S/C13H17BrN2O2/c14-11-4-2-1-3-10(11)13(5-6-13)9-16-12(18)15-7-8-17/h1-4,17H,5-9H2,(H2,15,16,18)
InChIKeyLOVQBEFSJKEKLS-UHFFFAOYSA-N
XLogP1.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757
2-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-ethyl-3-(2-hydroxyethyl)guanidine
CID 111986469
(2S,4S)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120635447
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide
CID 119800186
3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119800146
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120593131
N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119333019
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668782
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-ethylsulfonylethyl)-2-methylguanidine;hydroiodide
CID 111650145
2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635450
methyl 5-[[N-[[1-(2-bromophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]pentanoate;hydroiodide
CID 111650213
2-[1-(2-bromophenyl)cyclobutyl]ethanol
CID 83693368

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea (CID 111458940) is 1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCC1(c2ccccc2Br)CC1.
What is the InChIKey of 1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is LOVQBEFSJKEKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-11-4-2-1-3-10(11)13(5-6-13)9-16-12(18)15-7-8-17/h1-4,17H,5-9H2,(H2,15,16,18).
What are the key properties of 1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea?
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 313.20 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 111458940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).