1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea

C17H23ClN2O3 — CID 108914085

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
SMILESCOc1cc(NC(=O)N/C=C(\C)C2CCCC2)c(OC)cc1Cl
InChIInChI=1S/C17H23ClN2O3/c1-11(12-6-4-5-7-12)10-19-17(21)20-14-9-15(22-2)13(18)8-16(14)23-3/h8-10,12H,4-7H2,1-3H3,(H2,19,20,21)/b11-10+
InChIKeyMCRRWIPNLJFQPT-ZHACJKMWSA-N
MW338.84 g/mol
LogP4.57
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea

1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea (PubChem CID 108914085) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
PubChem CID108914085
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
SMILESCOc1cc(NC(=O)N/C=C(\C)C2CCCC2)c(OC)cc1Cl
InChIInChI=1S/C17H23ClN2O3/c1-11(12-6-4-5-7-12)10-19-17(21)20-14-9-15(22-2)13(18)8-16(14)23-3/h8-10,12H,4-7H2,1-3H3,(H2,19,20,21)/b11-10+
InChIKeyMCRRWIPNLJFQPT-ZHACJKMWSA-N
XLogP4.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 6458686
2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide
CID 108914030
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea
CID 108914116
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
CID 108530972
N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbut-2-enamide
CID 19177485
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
2-[acetyl(cyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113159589

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea (CID 108914085) is 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea is COc1cc(NC(=O)N/C=C(\C)C2CCCC2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
The InChIKey is MCRRWIPNLJFQPT-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11(12-6-4-5-7-12)10-19-17(21)20-14-9-15(22-2)13(18)8-16(14)23-3/h8-10,12H,4-7H2,1-3H3,(H2,19,20,21)/b11-10+.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea?
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea has a molecular weight of 338.84 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea is sourced from PubChem (CID 108914085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).