1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea

C14H18ClN3O2 — CID 22306438

IUPAC1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea
SMILESNC(=O)N(NC(=O)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c15-11-6-8-12(9-7-11)18(14(16)20)17-13(19)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,20)(H,17,19)
InChIKeyNZGJGHBINNRTDF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.84
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea

1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea (PubChem CID 22306438) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea
PubChem CID22306438
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea
SMILESNC(=O)N(NC(=O)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c15-11-6-8-12(9-7-11)18(14(16)20)17-13(19)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,20)(H,17,19)
InChIKeyNZGJGHBINNRTDF-UHFFFAOYSA-N
XLogP2.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea?
The IUPAC name of 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea (CID 22306438) is 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea?
The canonical SMILES for 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea is NC(=O)N(NC(=O)C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea?
The InChIKey is NZGJGHBINNRTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-11-6-8-12(9-7-11)18(14(16)20)17-13(19)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,20)(H,17,19).
What are the key properties of 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea?
1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea has a molecular weight of 295.77 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea is sourced from PubChem (CID 22306438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).