1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea

C16H16ClN3O2 — CID 5238384

IUPAC1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea
SMILESO=C(CCc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c17-13-7-4-8-14(11-13)18-16(22)20-19-15(21)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,21)(H2,18,20,22)
InChIKeyMKEBEHVCYSDGQL-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.13
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea

1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea (PubChem CID 5238384) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea
PubChem CID5238384
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea
SMILESO=C(CCc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c17-13-7-4-8-14(11-13)18-16(22)20-19-15(21)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,21)(H2,18,20,22)
InChIKeyMKEBEHVCYSDGQL-UHFFFAOYSA-N
XLogP3.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.13
H-Bond Donors ≤ 53
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-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea (CID 5238384) is 1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea is O=C(CCc1ccccc1)NNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea?
The InChIKey is MKEBEHVCYSDGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-13-7-4-8-14(11-13)18-16(22)20-19-15(21)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea?
1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea has a molecular weight of 317.78 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)urea is sourced from PubChem (CID 5238384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).