1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea

C15H14ClN3O3 — CID 730343

IUPAC1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClN3O3/c1-22-13-8-2-10(3-9-13)14(20)18-19-15(21)17-12-6-4-11(16)5-7-12/h2-9H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyYRXCIBABRUJYRN-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea

1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea (PubChem CID 730343) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
PubChem CID730343
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClN3O3/c1-22-13-8-2-10(3-9-13)14(20)18-19-15(21)17-12-6-4-11(16)5-7-12/h2-9H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyYRXCIBABRUJYRN-UHFFFAOYSA-N
XLogP2.82
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.82
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-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea (CID 730343) is 1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea is COc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea?
The InChIKey is YRXCIBABRUJYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-22-13-8-2-10(3-9-13)14(20)18-19-15(21)17-12-6-4-11(16)5-7-12/h2-9H,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea?
1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea has a molecular weight of 319.75 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea is sourced from PubChem (CID 730343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).