1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea

C14H19ClN2O — CID 108906642

IUPAC1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea
SMILESCCCCN(C)C(=O)N/C=C/c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-3-4-10-17(2)14(18)16-9-8-12-6-5-7-13(15)11-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)/b9-8+
InChIKeyWLMFYMBPYSNIGB-CMDGGOBGSA-N
MW266.77 g/mol
LogP3.75
Rot. Bonds5

About 1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea

1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea (PubChem CID 108906642) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea.

Molecular Properties

Compound Name1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea
PubChem CID108906642
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea
SMILESCCCCN(C)C(=O)N/C=C/c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-3-4-10-17(2)14(18)16-9-8-12-6-5-7-13(15)11-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)/b9-8+
InChIKeyWLMFYMBPYSNIGB-CMDGGOBGSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108906605
1-butyl-3-[(3-chlorophenyl)methyl]-1-methylurea
CID 110301221
3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
CID 108906460
1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
CID 108906596
2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
CID 108906497
3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide
CID 91943847
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906477
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
1-benzyl-3-[(E)-2-(3-bromophenyl)ethenyl]-1-methylurea
CID 108906930
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108906713
1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 110894614

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea?
The IUPAC name of 1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea (CID 108906642) is 1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea.
What is the SMILES notation for 1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea?
The canonical SMILES for 1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea is CCCCN(C)C(=O)N/C=C/c1cccc(Cl)c1.
What is the InChIKey of 1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea?
The InChIKey is WLMFYMBPYSNIGB-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-4-10-17(2)14(18)16-9-8-12-6-5-7-13(15)11-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)/b9-8+.
What are the key properties of 1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea?
1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea has a molecular weight of 266.77 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea is sourced from PubChem (CID 108906642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).