3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea

C13H18Cl2N2O — CID 4674154

IUPAC3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)Nc1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C13H18Cl2N2O/c1-8(2)17(9(3)4)13(18)16-12-10(14)6-5-7-11(12)15/h5-9H,1-4H3,(H,16,18)
InChIKeyOGAQJVWGVFCBFL-UHFFFAOYSA-N
MW289.21 g/mol
LogP4.64
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea

3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea (PubChem CID 4674154) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea
PubChem CID4674154
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)Nc1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C13H18Cl2N2O/c1-8(2)17(9(3)4)13(18)16-12-10(14)6-5-7-11(12)15/h5-9H,1-4H3,(H,16,18)
InChIKeyOGAQJVWGVFCBFL-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
2-bromo-N-(2,6-dichlorophenyl)propanamide
CID 53414281
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 66251389
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113115297
N-(2,6-dichlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 580436
1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,6-dichlorophenyl)-1-propan-2-ylurea
CID 4299345
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[(2,6-dichlorophenyl)carbamothioyl]acetamide
CID 12952276
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea?
The IUPAC name of 3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea (CID 4674154) is 3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea is CC(C)N(C(=O)Nc1c(Cl)cccc1Cl)C(C)C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea?
The InChIKey is OGAQJVWGVFCBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-8(2)17(9(3)4)13(18)16-12-10(14)6-5-7-11(12)15/h5-9H,1-4H3,(H,16,18).
What are the key properties of 3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea?
3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea has a molecular weight of 289.21 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea is sourced from PubChem (CID 4674154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).