2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide

C15H13Br2FN2O — CID 61300625

IUPAC2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide
SMILESO=C(CNCc1cc(Br)ccc1F)Nc1cccc(Br)c1
InChIInChI=1S/C15H13Br2FN2O/c16-11-2-1-3-13(7-11)20-15(21)9-19-8-10-6-12(17)4-5-14(10)18/h1-7,19H,8-9H2,(H,20,21)
InChIKeyIVQBGBXPYRIFHY-UHFFFAOYSA-N
MW416.09 g/mol
LogP4.08
Rot. Bonds5

About 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide

2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide (PubChem CID 61300625) has the molecular formula C15H13Br2FN2O and a molecular weight of 416.09 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide
PubChem CID61300625
Molecular FormulaC15H13Br2FN2O
Molecular Weight416.09 g/mol
Exact Mass413.94
IUPAC Name2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide
SMILESO=C(CNCc1cc(Br)ccc1F)Nc1cccc(Br)c1
InChIInChI=1S/C15H13Br2FN2O/c16-11-2-1-3-13(7-11)20-15(21)9-19-8-10-6-12(17)4-5-14(10)18/h1-7,19H,8-9H2,(H,20,21)
InChIKeyIVQBGBXPYRIFHY-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.09
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
CID 43214414
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide
CID 55829981
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
CID 60976730
2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide
CID 49464511
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 29271657
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
2-[(2-bromophenyl)methylamino]-N-(3-chlorophenyl)acetamide
CID 61401955
N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133334

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide (CID 61300625) is 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide is O=C(CNCc1cc(Br)ccc1F)Nc1cccc(Br)c1.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide?
The InChIKey is IVQBGBXPYRIFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FN2O/c16-11-2-1-3-13(7-11)20-15(21)9-19-8-10-6-12(17)4-5-14(10)18/h1-7,19H,8-9H2,(H,20,21).
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide?
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide has a molecular weight of 416.09 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 61300625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).