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

C14H11BrClFN2O — CID 104722156

IUPAC3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)cc(F)c2)cc1Cl
InChIInChI=1S/C14H11BrClFN2O/c1-7-2-11(15)13(6-12(7)16)19-14(20)8-3-9(17)5-10(18)4-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyXHYINPPVLIBBEP-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.38
Rot. Bonds2

About 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide

3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide (PubChem CID 104722156) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
PubChem CID104722156
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)cc(F)c2)cc1Cl
InChIInChI=1S/C14H11BrClFN2O/c1-7-2-11(15)13(6-12(7)16)19-14(20)8-3-9(17)5-10(18)4-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyXHYINPPVLIBBEP-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 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide?
The IUPAC name of 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide (CID 104722156) is 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide is Cc1cc(Br)c(NC(=O)c2cc(N)cc(F)c2)cc1Cl.
What is the InChIKey of 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide?
The InChIKey is XHYINPPVLIBBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c1-7-2-11(15)13(6-12(7)16)19-14(20)8-3-9(17)5-10(18)4-8/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide?
3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-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 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 104722156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).