1-(4-chlorophenyl)-1-cyclohexylurea

C13H17ClN2O — CID 68800466

IUPAC1-(4-chlorophenyl)-1-cyclohexylurea
SMILESNC(=O)N(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C13H17ClN2O/c14-10-6-8-12(9-7-10)16(13(15)17)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,17)
InChIKeyVRSMENZDUKWORC-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.56
Rot. Bonds2

About 1-(4-chlorophenyl)-1-cyclohexylurea

1-(4-chlorophenyl)-1-cyclohexylurea (PubChem CID 68800466) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclohexylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclohexylurea
PubChem CID68800466
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-(4-chlorophenyl)-1-cyclohexylurea
SMILESNC(=O)N(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C13H17ClN2O/c14-10-6-8-12(9-7-10)16(13(15)17)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,17)
InChIKeyVRSMENZDUKWORC-UHFFFAOYSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-cyclohexyl-N-phenylcarbamoyl chloride
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CID 60997584
1-cyclooctyl-1-methylurea
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(2R)-2-chloro-N-cyclohexyl-N-phenylpropanamide
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2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclohexylurea?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclohexylurea (CID 68800466) is 1-(4-chlorophenyl)-1-cyclohexylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclohexylurea?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclohexylurea is NC(=O)N(c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclohexylurea?
The InChIKey is VRSMENZDUKWORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-10-6-8-12(9-7-10)16(13(15)17)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,17).
What are the key properties of 1-(4-chlorophenyl)-1-cyclohexylurea?
1-(4-chlorophenyl)-1-cyclohexylurea has a molecular weight of 252.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclohexylurea is sourced from PubChem (CID 68800466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).