1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea

C17H23ClN2O2 — CID 110901151

IUPAC1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea
SMILESO=C(NC1CCC(O)CC1)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H23ClN2O2/c18-13-3-1-12(2-4-13)11-20(15-7-8-15)17(22)19-14-5-9-16(21)10-6-14/h1-4,14-16,21H,5-11H2,(H,19,22)
InChIKeyLDTAJTPVQWBQRM-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.32
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea

1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea (PubChem CID 110901151) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea
PubChem CID110901151
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea
SMILESO=C(NC1CCC(O)CC1)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H23ClN2O2/c18-13-3-1-12(2-4-13)11-20(15-7-8-15)17(22)19-14-5-9-16(21)10-6-14/h1-4,14-16,21H,5-11H2,(H,19,22)
InChIKeyLDTAJTPVQWBQRM-UHFFFAOYSA-N
XLogP3.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea (CID 110901151) is 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea is O=C(NC1CCC(O)CC1)N(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea?
The InChIKey is LDTAJTPVQWBQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-13-3-1-12(2-4-13)11-20(15-7-8-15)17(22)19-14-5-9-16(21)10-6-14/h1-4,14-16,21H,5-11H2,(H,19,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea?
1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea has a molecular weight of 322.84 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 110901151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).