1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea

C14H19ClN2O — CID 108911218

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
SMILESCC(C)/C=C/NC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-11(2)7-9-16-14(18)17-10-8-12-3-5-13(15)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H2,16,17,18)/b9-7+
InChIKeyFDKGGFQIPCGRHR-VQHVLOKHSA-N
MW266.77 g/mol
LogP3.35
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea

1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108911218) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108911218
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
SMILESCC(C)/C=C/NC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-11(2)7-9-16-14(18)17-10-8-12-3-5-13(15)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H2,16,17,18)/b9-7+
InChIKeyFDKGGFQIPCGRHR-VQHVLOKHSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-but-1-enyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108910845
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108908999
1-(2-chloroethyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108910974
1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912710
2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 61380462
1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
CID 108911211
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
(2S)-2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 61381103
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea (CID 108911218) is 1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea is CC(C)/C=C/NC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is FDKGGFQIPCGRHR-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11(2)7-9-16-14(18)17-10-8-12-3-5-13(15)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H2,16,17,18)/b9-7+.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 266.77 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108911218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).