1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea

C18H19BrN2O3 — CID 96542046

IUPAC1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea
SMILESCc1c(Br)cccc1NC(=O)Nc1ccccc1O[C@@H]1CCOC1
InChIInChI=1S/C18H19BrN2O3/c1-12-14(19)5-4-7-15(12)20-18(22)21-16-6-2-3-8-17(16)24-13-9-10-23-11-13/h2-8,13H,9-11H2,1H3,(H2,20,21,22)/t13-/m1/s1
InChIKeyIPXCIUMWSZJVRW-CYBMUJFWSA-N
MW391.27 g/mol
LogP4.57
Rot. Bonds4

About 1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea

1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea (PubChem CID 96542046) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea
PubChem CID96542046
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea
SMILESCc1c(Br)cccc1NC(=O)Nc1ccccc1O[C@@H]1CCOC1
InChIInChI=1S/C18H19BrN2O3/c1-12-14(19)5-4-7-15(12)20-18(22)21-16-6-2-3-8-17(16)24-13-9-10-23-11-13/h2-8,13H,9-11H2,1H3,(H2,20,21,22)/t13-/m1/s1
InChIKeyIPXCIUMWSZJVRW-CYBMUJFWSA-N
XLogP4.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromo-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 971068
1-(4-Bromo-2-methoxyphenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 177653137
N-(2-ethoxyphenyl)-N'-(2-methylphenyl)urea
CID 295286
N-(3-Bromophenyl)-2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 22521432
N-[2-[(2-bromophenyl)methoxy]phenyl]formamide
CID 21993489
1-(2-Ethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 310915
1-(2-Ethoxyphenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 971769
[5-Bromo-2-(2-ethoxyethoxy)phenyl]urea
CID 75499478
1-(4-Bromo-3-(trifluoromethyl)phenyl)-3-(2-methoxyphenyl)urea
CID 2810420
1-(5-Bromo-2-((2,4-dimethylpentan-3-yl)oxy)phenyl)-3-(2-fluorophenyl)urea
CID 117779730
1-(4-Bromo-5-fluoro-2-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 167456752
1-[4-Bromo-3-(1,1-difluoro-2-methylprop-2-enyl)phenyl]-3-(2-methoxyphenyl)urea
CID 178016756

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea (CID 96542046) is 1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea is Cc1c(Br)cccc1NC(=O)Nc1ccccc1O[C@@H]1CCOC1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea?
The InChIKey is IPXCIUMWSZJVRW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-14(19)5-4-7-15(12)20-18(22)21-16-6-2-3-8-17(16)24-13-9-10-23-11-13/h2-8,13H,9-11H2,1H3,(H2,20,21,22)/t13-/m1/s1.
What are the key properties of 1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea?
1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea has a molecular weight of 391.27 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea is sourced from PubChem (CID 96542046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).