3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide

C14H10BrClF2N2O — CID 104722212

IUPAC3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2c(F)ccc(N)c2F)cc1Cl
InChIInChI=1S/C14H10BrClF2N2O/c1-6-4-7(15)11(5-8(6)16)20-14(21)12-9(17)2-3-10(19)13(12)18/h2-5H,19H2,1H3,(H,20,21)
InChIKeyBRZYOACHDKYAIZ-UHFFFAOYSA-N
MW375.60 g/mol
LogP4.52
Rot. Bonds2

About 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide

3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide (PubChem CID 104722212) has the molecular formula C14H10BrClF2N2O and a molecular weight of 375.60 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide
PubChem CID104722212
Molecular FormulaC14H10BrClF2N2O
Molecular Weight375.60 g/mol
Exact Mass373.96
IUPAC Name3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2c(F)ccc(N)c2F)cc1Cl
InChIInChI=1S/C14H10BrClF2N2O/c1-6-4-7(15)11(5-8(6)16)20-14(21)12-9(17)2-3-10(19)13(12)18/h2-5H,19H2,1H3,(H,20,21)
InChIKeyBRZYOACHDKYAIZ-UHFFFAOYSA-N
XLogP4.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.52
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)-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide (CID 104722212) is 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide is Cc1cc(Br)c(NC(=O)c2c(F)ccc(N)c2F)cc1Cl.
What is the InChIKey of 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide?
The InChIKey is BRZYOACHDKYAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2N2O/c1-6-4-7(15)11(5-8(6)16)20-14(21)12-9(17)2-3-10(19)13(12)18/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide?
3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2,6-difluorobenzamide has a molecular weight of 375.60 g/mol, XLogP of 4.52, 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)-2,6-difluorobenzamide is sourced from PubChem (CID 104722212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).