1-(3-chloro-2-methylphenyl)-3-cyclohexylurea

C14H19ClN2O — CID 897859

IUPAC1-(3-chloro-2-methylphenyl)-3-cyclohexylurea
SMILESCc1c(Cl)cccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-10-12(15)8-5-9-13(10)17-14(18)16-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H2,16,17,18)
InChIKeyODFQAFALPZZDQU-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.10
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-3-cyclohexylurea

1-(3-chloro-2-methylphenyl)-3-cyclohexylurea (PubChem CID 897859) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-cyclohexylurea
PubChem CID897859
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(3-chloro-2-methylphenyl)-3-cyclohexylurea
SMILESCc1c(Cl)cccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-10-12(15)8-5-9-13(10)17-14(18)16-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H2,16,17,18)
InChIKeyODFQAFALPZZDQU-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-cyclohexylurea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-cyclohexylurea (CID 897859) is 1-(3-chloro-2-methylphenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-cyclohexylurea is Cc1c(Cl)cccc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-cyclohexylurea?
The InChIKey is ODFQAFALPZZDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-12(15)8-5-9-13(10)17-14(18)16-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-cyclohexylurea?
1-(3-chloro-2-methylphenyl)-3-cyclohexylurea has a molecular weight of 266.77 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-cyclohexylurea is sourced from PubChem (CID 897859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).