4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide

C14H11BrClFN2O — CID 104722148

IUPAC4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(N)cc2F)cc1Cl
InChIInChI=1S/C14H11BrClFN2O/c1-7-4-10(15)13(6-11(7)16)19-14(20)9-3-2-8(18)5-12(9)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyDJMLGOYPYKTIJF-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.38
Rot. Bonds2

About 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide

4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide (PubChem CID 104722148) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
PubChem CID104722148
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(N)cc2F)cc1Cl
InChIInChI=1S/C14H11BrClFN2O/c1-7-4-10(15)13(6-11(7)16)19-14(20)9-3-2-8(18)5-12(9)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyDJMLGOYPYKTIJF-UHFFFAOYSA-N
XLogP4.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide?
The IUPAC name of 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide (CID 104722148) is 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide is Cc1cc(Br)c(NC(=O)c2ccc(N)cc2F)cc1Cl.
What is the InChIKey of 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide?
The InChIKey is DJMLGOYPYKTIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c1-7-4-10(15)13(6-11(7)16)19-14(20)9-3-2-8(18)5-12(9)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide?
4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide has a molecular weight of 357.61 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 104722148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).