2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide

C16H16BrFN2O — CID 43692242

IUPAC2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCc1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrFN2O/c1-19-16(21)9-12-4-2-3-5-15(12)20-10-11-6-7-14(18)13(17)8-11/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyGUROYEGHZLIESF-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.49
Rot. Bonds5

About 2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide

2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide (PubChem CID 43692242) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide
PubChem CID43692242
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCc1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrFN2O/c1-19-16(21)9-12-4-2-3-5-15(12)20-10-11-6-7-14(18)13(17)8-11/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyGUROYEGHZLIESF-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-bromo-3-fluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 81432064
2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 43692182
N-[(3-bromo-4-fluorophenyl)methyl]-2-propoxyaniline
CID 43682303
N-methyl-2-[2-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104756616
N-[(3-bromo-4-fluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 62809903
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-chloroaniline
CID 103478325
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 61319910
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43467343
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide (CID 43692242) is 2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is GUROYEGHZLIESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-19-16(21)9-12-4-2-3-5-15(12)20-10-11-6-7-14(18)13(17)8-11/h2-8,20H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide?
2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 351.22 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromo-4-fluorophenyl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43692242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).