N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide

C10H8BrClF3NO — CID 67239728

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H8BrClF3NO/c11-7-2-1-6(8(12)3-7)5-16-9(17)4-10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKeyTTYLPWOHEJXABV-UHFFFAOYSA-N
MW330.53 g/mol
LogP3.67
Rot. Bonds3

About N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide

N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 67239728) has the molecular formula C10H8BrClF3NO and a molecular weight of 330.53 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide
PubChem CID67239728
Molecular FormulaC10H8BrClF3NO
Molecular Weight330.53 g/mol
Exact Mass328.94
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H8BrClF3NO/c11-7-2-1-6(8(12)3-7)5-16-9(17)4-10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKeyTTYLPWOHEJXABV-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
CID 556297
N-[2-[(4-bromo-2-chlorophenyl)methylcarbamoylamino]ethyl]acetamide
CID 47447383
3-acetamido-N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 51094514
3-[(4-bromo-2-chlorophenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 51126771
N-[(4-bromo-2-chlorophenyl)methyl]acetamide
CID 47444975
2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide
CID 47445030
N-(2-Chlorobenzyl)-3,3,3-trifluoro-2-(trifluoromethyl)propionamide
CID 624998
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]propanamide
CID 2780050
N-(2-(4-bromo-2-chlorophenyl)propyl)-2,2,2-trifluoroacetamide
CID 86689565
N-[(4-bromo-2-chlorophenyl)methyl]acetamide;N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide;N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 87304063
N-[(5-bromo-2-chlorophenyl)methyl]-2,2,2-trifluoroacetamide
CID 87327195

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide (CID 67239728) is N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NCc1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is TTYLPWOHEJXABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3NO/c11-7-2-1-6(8(12)3-7)5-16-9(17)4-10(13,14)15/h1-3H,4-5H2,(H,16,17).
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide?
N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 330.53 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 67239728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).