3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea

C12H15ClN2O2 — CID 117058712

IUPAC3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea
SMILESCC1Cc2c(NC(=O)N(C)C)ccc(Cl)c2O1
InChIInChI=1S/C12H15ClN2O2/c1-7-6-8-10(14-12(16)15(2)3)5-4-9(13)11(8)17-7/h4-5,7H,6H2,1-3H3,(H,14,16)
InChIKeyJYDIZJBFOQNJIJ-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.76
Rot. Bonds1

About 3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea

3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea (PubChem CID 117058712) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea
PubChem CID117058712
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea
SMILESCC1Cc2c(NC(=O)N(C)C)ccc(Cl)c2O1
InChIInChI=1S/C12H15ClN2O2/c1-7-6-8-10(14-12(16)15(2)3)5-4-9(13)11(8)17-7/h4-5,7H,6H2,1-3H3,(H,14,16)
InChIKeyJYDIZJBFOQNJIJ-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,1-dimethylurea
CID 117061292
2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 15018891
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
CID 112684763
4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 139656076
9-chloro-2,6-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231186
4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol
CID 115010479
3-[2-chloro-4-(cyanomethyl)phenyl]-1,1-dimethylurea
CID 20544601
3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea
CID 19858561
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea
CID 116654094

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea?
The IUPAC name of 3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea (CID 117058712) is 3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea is CC1Cc2c(NC(=O)N(C)C)ccc(Cl)c2O1.
What is the InChIKey of 3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea?
The InChIKey is JYDIZJBFOQNJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-6-8-10(14-12(16)15(2)3)5-4-9(13)11(8)17-7/h4-5,7H,6H2,1-3H3,(H,14,16).
What are the key properties of 3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea?
3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea has a molecular weight of 254.72 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea is sourced from PubChem (CID 117058712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).