3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea

C15H23ClN2O — CID 60547202

IUPAC3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-5-18(6-2)14(19)17-11-15(3,4)12-7-9-13(16)10-8-12/h7-10H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyQHZDYPSVLFZCHQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.67
Rot. Bonds5

About 3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea

3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea (PubChem CID 60547202) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
PubChem CID60547202
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-5-18(6-2)14(19)17-11-15(3,4)12-7-9-13(16)10-8-12/h7-10H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyQHZDYPSVLFZCHQ-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
CID 113214197
3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910334
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110901023
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
methyl 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142659
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea (CID 60547202) is 3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea is CCN(CC)C(=O)NCC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea?
The InChIKey is QHZDYPSVLFZCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-18(6-2)14(19)17-11-15(3,4)12-7-9-13(16)10-8-12/h7-10H,5-6,11H2,1-4H3,(H,17,19).
What are the key properties of 3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea?
3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea has a molecular weight of 282.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea is sourced from PubChem (CID 60547202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).