1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea

C17H15Cl2N3O3 — CID 2208123

IUPAC1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea
SMILESCC(=O)c1ccc(NC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H15Cl2N3O3/c1-10(23)12-3-5-13(6-4-12)20-17(25)22-21-16(24)9-11-2-7-14(18)15(19)8-11/h2-8H,9H2,1H3,(H,21,24)(H2,20,22,25)
InChIKeyLQEORDZPYARREX-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea

1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea (PubChem CID 2208123) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea
PubChem CID2208123
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea
SMILESCC(=O)c1ccc(NC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H15Cl2N3O3/c1-10(23)12-3-5-13(6-4-12)20-17(25)22-21-16(24)9-11-2-7-14(18)15(19)8-11/h2-8H,9H2,1H3,(H,21,24)(H2,20,22,25)
InChIKeyLQEORDZPYARREX-UHFFFAOYSA-N
XLogP3.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea (CID 2208123) is 1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea is CC(=O)c1ccc(NC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea?
The InChIKey is LQEORDZPYARREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-10(23)12-3-5-13(6-4-12)20-17(25)22-21-16(24)9-11-2-7-14(18)15(19)8-11/h2-8H,9H2,1H3,(H,21,24)(H2,20,22,25).
What are the key properties of 1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea?
1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea has a molecular weight of 380.23 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]urea is sourced from PubChem (CID 2208123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).