1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea

C14H19BrN2O3 — CID 95596162

IUPAC1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESCOc1ccc(Br)c(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1
InChIInChI=1S/C14H19BrN2O3/c1-9(13-4-3-7-20-13)16-14(18)17-12-8-10(19-2)5-6-11(12)15/h5-6,8-9,13H,3-4,7H2,1-2H3,(H2,16,17,18)/t9-,13+/m0/s1
InChIKeyWUDMEOCIXFTWBY-TVQRCGJNSA-N
MW343.22 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea

1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 95596162) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID95596162
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESCOc1ccc(Br)c(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1
InChIInChI=1S/C14H19BrN2O3/c1-9(13-4-3-7-20-13)16-14(18)17-12-8-10(19-2)5-6-11(12)15/h5-6,8-9,13H,3-4,7H2,1-2H3,(H2,16,17,18)/t9-,13+/m0/s1
InChIKeyWUDMEOCIXFTWBY-TVQRCGJNSA-N
XLogP3.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea with MolForge

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6467333
1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 86862826
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
1-[2-bromo-4-(trifluoromethoxy)phenyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97327842
1-(3-bromo-4-methoxyphenyl)-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 96530944
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95157998
5-bromo-2-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 62074010
2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 93044901
3-fluoro-4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63190371
1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95597203
1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea
CID 86768816
5-fluoro-2-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198695

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (CID 95596162) is 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is COc1ccc(Br)c(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is WUDMEOCIXFTWBY-TVQRCGJNSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9(13-4-3-7-20-13)16-14(18)17-12-8-10(19-2)5-6-11(12)15/h5-6,8-9,13H,3-4,7H2,1-2H3,(H2,16,17,18)/t9-,13+/m0/s1.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea has a molecular weight of 343.22 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 95596162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).