3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea

C14H17ClN2O — CID 108899227

IUPAC3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/c1-3-9-17(10-4-2)14(18)16-11-12-5-7-13(15)8-6-12/h3-8H,1-2,9-11H2,(H,16,18)
InChIKeyPAFDDJUVMOXZIG-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.22
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea

3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea (PubChem CID 108899227) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
PubChem CID108899227
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/c1-3-9-17(10-4-2)14(18)16-11-12-5-7-13(15)8-6-12/h3-8H,1-2,9-11H2,(H,16,18)
InChIKeyPAFDDJUVMOXZIG-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide
CID 108507708
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108884391
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
3-[(2-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108897654
3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424077
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066307
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea
CID 87000266
1-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-prop-2-enylurea
CID 86862868

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea (CID 108899227) is 3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea?
The InChIKey is PAFDDJUVMOXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-9-17(10-4-2)14(18)16-11-12-5-7-13(15)8-6-12/h3-8H,1-2,9-11H2,(H,16,18).
What are the key properties of 3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea?
3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea has a molecular weight of 264.76 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 108899227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).