1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea

C14H9Cl2F2N3O2 — CID 55351574

IUPAC1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea
SMILESO=C(NNC(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)cc1F
InChIInChI=1S/C14H9Cl2F2N3O2/c15-7-1-3-10(16)9(5-7)13(22)20-21-14(23)19-12-4-2-8(17)6-11(12)18/h1-6H,(H,20,22)(H2,19,21,23)
InChIKeyFUYICYCHYPGYEA-UHFFFAOYSA-N
MW360.15 g/mol
LogP3.74
Rot. Bonds2

About 1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea

1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea (PubChem CID 55351574) has the molecular formula C14H9Cl2F2N3O2 and a molecular weight of 360.15 g/mol. Its IUPAC name is 1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea
PubChem CID55351574
Molecular FormulaC14H9Cl2F2N3O2
Molecular Weight360.15 g/mol
Exact Mass359.00
IUPAC Name1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea
SMILESO=C(NNC(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)cc1F
InChIInChI=1S/C14H9Cl2F2N3O2/c15-7-1-3-10(16)9(5-7)13(22)20-21-14(23)19-12-4-2-8(17)6-11(12)18/h1-6H,(H,20,22)(H2,19,21,23)
InChIKeyFUYICYCHYPGYEA-UHFFFAOYSA-N
XLogP3.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 53.74
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-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea (CID 55351574) is 1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea is O=C(NNC(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea?
The InChIKey is FUYICYCHYPGYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2N3O2/c15-7-1-3-10(16)9(5-7)13(22)20-21-14(23)19-12-4-2-8(17)6-11(12)18/h1-6H,(H,20,22)(H2,19,21,23).
What are the key properties of 1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea?
1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea has a molecular weight of 360.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 55351574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).