1-(3-chloro-5-methylphenyl)-3-cyclohexylurea

C14H19ClN2O — CID 143846785

IUPAC1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
SMILESCc1cc(Cl)cc(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C14H19ClN2O/c1-10-7-11(15)9-13(8-10)17-14(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H2,16,17,18)
InChIKeyGIOVZUDKXZXNPM-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.10
Rot. Bonds2

About 1-(3-chloro-5-methylphenyl)-3-cyclohexylurea

1-(3-chloro-5-methylphenyl)-3-cyclohexylurea (PubChem CID 143846785) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
PubChem CID143846785
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
SMILESCc1cc(Cl)cc(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C14H19ClN2O/c1-10-7-11(15)9-13(8-10)17-14(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H2,16,17,18)
InChIKeyGIOVZUDKXZXNPM-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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Related Compounds

1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 116699316
1-cyclohexyl-3-[3-methyl-5-[6-[[3-methyl-5-(octadecylcarbamoylamino)phenyl]carbamoylamino]hexylcarbamoylamino]phenyl]urea
CID 3024817
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
1-(4-bromo-3,5-dimethylphenyl)-3-cyclobutylurea
CID 103582018
1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
CID 67521970
1-cyclooctyl-3-(3,5-dimethylphenyl)thiourea
CID 19650518
N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide
CID 108951648
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-3-cyclohexylurea?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-3-cyclohexylurea (CID 143846785) is 1-(3-chloro-5-methylphenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-3-cyclohexylurea is Cc1cc(Cl)cc(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-3-cyclohexylurea?
The InChIKey is GIOVZUDKXZXNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-7-11(15)9-13(8-10)17-14(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-5-methylphenyl)-3-cyclohexylurea?
1-(3-chloro-5-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-5-methylphenyl)-3-cyclohexylurea is sourced from PubChem (CID 143846785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).