2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide

C14H11Br2FN2O — CID 79722261

IUPAC2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
SMILESNc1cc(Br)ccc1C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C14H11Br2FN2O/c15-9-2-4-12(17)8(5-9)7-19-14(20)11-3-1-10(16)6-13(11)18/h1-6H,7,18H2,(H,19,20)
InChIKeySRKHANHLKGOOQP-UHFFFAOYSA-N
MW402.06 g/mol
LogP3.86
Rot. Bonds3

About 2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide

2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide (PubChem CID 79722261) has the molecular formula C14H11Br2FN2O and a molecular weight of 402.06 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
PubChem CID79722261
Molecular FormulaC14H11Br2FN2O
Molecular Weight402.06 g/mol
Exact Mass399.92
IUPAC Name2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
SMILESNc1cc(Br)ccc1C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C14H11Br2FN2O/c15-9-2-4-12(17)8(5-9)7-19-14(20)11-3-1-10(16)6-13(11)18/h1-6H,7,18H2,(H,19,20)
InChIKeySRKHANHLKGOOQP-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
2-amino-4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 79714917
N-[(5-bromo-2-fluorophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283617
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
CID 103853140
2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
CID 63794966

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide (CID 79722261) is 2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide is Nc1cc(Br)ccc1C(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of 2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide?
The InChIKey is SRKHANHLKGOOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O/c15-9-2-4-12(17)8(5-9)7-19-14(20)11-3-1-10(16)6-13(11)18/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide?
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide has a molecular weight of 402.06 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 79722261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).