1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea

C18H19ClN2O2 — CID 108906596

IUPAC1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
SMILESO=C(N/C=C/c1cccc(Cl)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H19ClN2O2/c19-17-8-4-7-15(13-17)9-10-20-18(23)21(11-12-22)14-16-5-2-1-3-6-16/h1-10,13,22H,11-12,14H2,(H,20,23)/b10-9+
InChIKeySPFOVXCSJQKYLA-MDZDMXLPSA-N
MW330.82 g/mol
LogP3.51
Rot. Bonds6

About 1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea

1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea (PubChem CID 108906596) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
PubChem CID108906596
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
SMILESO=C(N/C=C/c1cccc(Cl)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H19ClN2O2/c19-17-8-4-7-15(13-17)9-10-20-18(23)21(11-12-22)14-16-5-2-1-3-6-16/h1-10,13,22H,11-12,14H2,(H,20,23)/b10-9+
InChIKeySPFOVXCSJQKYLA-MDZDMXLPSA-N
XLogP3.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
CID 108908454
1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
CID 108903240
1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea
CID 108906642
2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
CID 108906497
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108906605
1-benzyl-3-[(E)-2-(3-bromophenyl)ethenyl]-1-methylurea
CID 108906930
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
CID 108912537
3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 78854693
N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
CID 108502823
1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea
CID 111521290

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea (CID 108906596) is 1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea is O=C(N/C=C/c1cccc(Cl)c1)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea?
The InChIKey is SPFOVXCSJQKYLA-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-17-8-4-7-15(13-17)9-10-20-18(23)21(11-12-22)14-16-5-2-1-3-6-16/h1-10,13,22H,11-12,14H2,(H,20,23)/b10-9+.
What are the key properties of 1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea?
1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea has a molecular weight of 330.82 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 108906596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).