1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea

C11H14Cl2N2O — CID 21398152

IUPAC1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCl)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl2N2O/c1-14(2)11(16)15(8-12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyGHQAVHAVPPHRKN-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.02
Rot. Bonds3

About 1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea

1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea (PubChem CID 21398152) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea
PubChem CID21398152
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCl)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl2N2O/c1-14(2)11(16)15(8-12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyGHQAVHAVPPHRKN-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
N'-[(4-chlorophenyl)methyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;oxalic acid
CID 2845951
1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
CID 580681
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea?
The IUPAC name of 1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea (CID 21398152) is 1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea.
What is the SMILES notation for 1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea?
The canonical SMILES for 1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea is CN(C)C(=O)N(CCl)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea?
The InChIKey is GHQAVHAVPPHRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-14(2)11(16)15(8-12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea?
1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea has a molecular weight of 261.15 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-[(4-chlorophenyl)methyl]-3,3-dimethylurea is sourced from PubChem (CID 21398152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).