1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea

C17H19ClN2O — CID 110301185

IUPAC1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-2-20(13-14-7-4-3-5-8-14)17(21)19-12-15-9-6-10-16(18)11-15/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyRUXIPTOKUOZQDE-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.07
Rot. Bonds5

About 1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea

1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea (PubChem CID 110301185) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea.

Molecular Properties

Compound Name1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
PubChem CID110301185
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-2-20(13-14-7-4-3-5-8-14)17(21)19-12-15-9-6-10-16(18)11-15/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyRUXIPTOKUOZQDE-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
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1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
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3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
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CID 118607410
1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 110894614
N-benzyl-N'-[2-(3-chlorophenyl)ethyl]-N-ethyl-2,2-dimethylpropanediamide
CID 108963251
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea
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CID 52682333

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea?
The IUPAC name of 1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea (CID 110301185) is 1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea.
What is the SMILES notation for 1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea?
The canonical SMILES for 1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea is CCN(Cc1ccccc1)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea?
The InChIKey is RUXIPTOKUOZQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-20(13-14-7-4-3-5-8-14)17(21)19-12-15-9-6-10-16(18)11-15/h3-11H,2,12-13H2,1H3,(H,19,21).
What are the key properties of 1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea?
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea has a molecular weight of 302.81 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea is sourced from PubChem (CID 110301185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).