2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide

C14H10BrCl2FN2O — CID 107788987

IUPAC2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide
SMILESO=C(CNc1ccc(Br)c(Cl)c1Cl)Nc1ccccc1F
InChIInChI=1S/C14H10BrCl2FN2O/c15-8-5-6-11(14(17)13(8)16)19-7-12(21)20-10-4-2-1-3-9(10)18/h1-6,19H,7H2,(H,20,21)
InChIKeyBMJRHBRFJDLVKI-UHFFFAOYSA-N
MW392.06 g/mol
LogP4.95
Rot. Bonds4

About 2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide

2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide (PubChem CID 107788987) has the molecular formula C14H10BrCl2FN2O and a molecular weight of 392.06 g/mol. Its IUPAC name is 2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide
PubChem CID107788987
Molecular FormulaC14H10BrCl2FN2O
Molecular Weight392.06 g/mol
Exact Mass389.93
IUPAC Name2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide
SMILESO=C(CNc1ccc(Br)c(Cl)c1Cl)Nc1ccccc1F
InChIInChI=1S/C14H10BrCl2FN2O/c15-8-5-6-11(14(17)13(8)16)19-7-12(21)20-10-4-2-1-3-9(10)18/h1-6,19H,7H2,(H,20,21)
InChIKeyBMJRHBRFJDLVKI-UHFFFAOYSA-N
XLogP4.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.06
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide (CID 107788987) is 2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide is O=C(CNc1ccc(Br)c(Cl)c1Cl)Nc1ccccc1F.
What is the InChIKey of 2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide?
The InChIKey is BMJRHBRFJDLVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FN2O/c15-8-5-6-11(14(17)13(8)16)19-7-12(21)20-10-4-2-1-3-9(10)18/h1-6,19H,7H2,(H,20,21).
What are the key properties of 2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide?
2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide has a molecular weight of 392.06 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3-dichloroanilino)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 107788987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).