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

C16H13BrF4N2O — CID 46604266

IUPACN-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(Br)cc2F)c(C(F)(F)F)c1
InChIInChI=1S/C16H13BrF4N2O/c1-9(24)23-12-4-5-15(13(7-12)16(19,20)21)22-8-10-2-3-11(17)6-14(10)18/h2-7,22H,8H2,1H3,(H,23,24)
InChIKeyPUUQMOMEXHZZFX-UHFFFAOYSA-N
MW405.19 g/mol
LogP5.18
Rot. Bonds4

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

N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 46604266) has the molecular formula C16H13BrF4N2O and a molecular weight of 405.19 g/mol. Its IUPAC name is N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID46604266
Molecular FormulaC16H13BrF4N2O
Molecular Weight405.19 g/mol
Exact Mass404.01
IUPAC NameN-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(Br)cc2F)c(C(F)(F)F)c1
InChIInChI=1S/C16H13BrF4N2O/c1-9(24)23-12-4-5-15(13(7-12)16(19,20)21)22-8-10-2-3-11(17)6-14(10)18/h2-7,22H,8H2,1H3,(H,23,24)
InChIKeyPUUQMOMEXHZZFX-UHFFFAOYSA-N
XLogP5.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.19
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide
CID 31418044
N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 115868166
N-[3-[(5-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 103696999
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 31418097
2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide
CID 61219784
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32915177
2-[4-[(4-bromo-2-fluorophenyl)methylamino]phenyl]acetic acid
CID 11537371
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 60886097
3-[(4-bromo-2-fluorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911918
N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide
CID 134016970

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide (CID 46604266) is N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(NCc2ccc(Br)cc2F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PUUQMOMEXHZZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF4N2O/c1-9(24)23-12-4-5-15(13(7-12)16(19,20)21)22-8-10-2-3-11(17)6-14(10)18/h2-7,22H,8H2,1H3,(H,23,24).
What are the key properties of N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide?
N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 405.19 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46604266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).