1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea

C16H16Cl2N2O — CID 53440487

IUPAC1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea
SMILESCN(C)C(=O)N(Cc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-19(2)16(21)20(11-12-6-4-3-5-7-12)13-8-9-14(17)15(18)10-13/h3-10H,11H2,1-2H3
InChIKeyINCXTJWMAXTURA-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.68
Rot. Bonds3

About 1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea

1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea (PubChem CID 53440487) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea.

Molecular Properties

Compound Name1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea
PubChem CID53440487
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea
SMILESCN(C)C(=O)N(Cc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-19(2)16(21)20(11-12-6-4-3-5-7-12)13-8-9-14(17)15(18)10-13/h3-10H,11H2,1-2H3
InChIKeyINCXTJWMAXTURA-UHFFFAOYSA-N
XLogP4.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
CID 154198928
N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide
CID 18432
3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 113133788
N-benzyl-N-tert-butyl-3,4-dichlorobenzamide
CID 888438
1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360355
2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649875
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470
1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600
3,4-dichloro-N-methyl-N-phenylaniline
CID 73012191
N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 143002886
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
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N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea?
The IUPAC name of 1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea (CID 53440487) is 1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea.
What is the SMILES notation for 1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea?
The canonical SMILES for 1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea is CN(C)C(=O)N(Cc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea?
The InChIKey is INCXTJWMAXTURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-19(2)16(21)20(11-12-6-4-3-5-7-12)13-8-9-14(17)15(18)10-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea?
1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea has a molecular weight of 323.22 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea is sourced from PubChem (CID 53440487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).