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

C15H14ClN3O2 — CID 841948

IUPAC1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea
SMILESO=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3O2/c16-12-7-4-8-13(10-12)17-15(21)19-18-14(20)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,18,20)(H2,17,19,21)
InChIKeyMCOPFTDABNLIJP-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.74
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea (PubChem CID 841948) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea
PubChem CID841948
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea
SMILESO=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3O2/c16-12-7-4-8-13(10-12)17-15(21)19-18-14(20)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,18,20)(H2,17,19,21)
InChIKeyMCOPFTDABNLIJP-UHFFFAOYSA-N
XLogP2.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.74
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-phenylacetyl)amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea (CID 841948) is 1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea is O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea?
The InChIKey is MCOPFTDABNLIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-7-4-8-13(10-12)17-15(21)19-18-14(20)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea?
1-(3-chlorophenyl)-3-[(2-phenylacetyl)amino]urea has a molecular weight of 303.75 g/mol, XLogP of 2.74, 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-phenylacetyl)amino]urea is sourced from PubChem (CID 841948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).