1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea

C13H17ClN2O2 — CID 108904876

IUPAC1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCC(C)(CO)NC(=O)N/C=C/c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-13(2,9-17)16-12(18)15-8-7-10-5-3-4-6-11(10)14/h3-8,17H,9H2,1-2H3,(H2,15,16,18)/b8-7+
InChIKeyVFSBLXPAUSBVNS-BQYQJAHWSA-N
MW268.74 g/mol
LogP2.38
Rot. Bonds4

About 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea

1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea (PubChem CID 108904876) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
PubChem CID108904876
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCC(C)(CO)NC(=O)N/C=C/c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-13(2,9-17)16-12(18)15-8-7-10-5-3-4-6-11(10)14/h3-8,17H,9H2,1-2H3,(H2,15,16,18)/b8-7+
InChIKeyVFSBLXPAUSBVNS-BQYQJAHWSA-N
XLogP2.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea
CID 108904820
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108904384
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
CID 108904684
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea
CID 108904741
1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904832
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108904840
N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide
CID 108904818
(E,2S)-4-(2-chlorophenyl)-2-methylbut-3-ene-1,2-diol
CID 11287323
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea
CID 108904890
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 45000720
1-(1-adamantyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904821

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea (CID 108904876) is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea is CC(C)(CO)NC(=O)N/C=C/c1ccccc1Cl.
What is the InChIKey of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The InChIKey is VFSBLXPAUSBVNS-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(2,9-17)16-12(18)15-8-7-10-5-3-4-6-11(10)14/h3-8,17H,9H2,1-2H3,(H2,15,16,18)/b8-7+.
What are the key properties of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea has a molecular weight of 268.74 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 108904876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).