1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea

C17H16ClN3O2 — CID 2838470

IUPAC1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea
SMILESO=C(NNC(=O)C1CC1c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O2/c18-12-7-4-8-13(9-12)19-17(23)21-20-16(22)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,20,22)(H2,19,21,23)
InChIKeyJNHKZYCUYSFOQI-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.30
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea

1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea (PubChem CID 2838470) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea
PubChem CID2838470
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea
SMILESO=C(NNC(=O)C1CC1c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O2/c18-12-7-4-8-13(9-12)19-17(23)21-20-16(22)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,20,22)(H2,19,21,23)
InChIKeyJNHKZYCUYSFOQI-UHFFFAOYSA-N
XLogP3.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.30
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-[(2-phenylcyclopropanecarbonyl)amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea (CID 2838470) is 1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea is O=C(NNC(=O)C1CC1c1ccccc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea?
The InChIKey is JNHKZYCUYSFOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-12-7-4-8-13(9-12)19-17(23)21-20-16(22)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,20,22)(H2,19,21,23).
What are the key properties of 1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea?
1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea has a molecular weight of 329.79 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2-phenylcyclopropanecarbonyl)amino]urea is sourced from PubChem (CID 2838470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).