N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide

C9H6BrClF3NO — CID 2779486

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H6BrClF3NO/c10-5-1-2-7(15-8(16)4-11)6(3-5)9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyTUXNWIBGQYIZRA-UHFFFAOYSA-N
MW316.50 g/mol
LogP3.65
Rot. Bonds2

About N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide

N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide (PubChem CID 2779486) has the molecular formula C9H6BrClF3NO and a molecular weight of 316.50 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
PubChem CID2779486
Molecular FormulaC9H6BrClF3NO
Molecular Weight316.50 g/mol
Exact Mass314.93
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H6BrClF3NO/c10-5-1-2-7(15-8(16)4-11)6(3-5)9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyTUXNWIBGQYIZRA-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 83315794
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103515406
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
CID 65484378
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide
CID 71857429
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
CID 60792385
2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 107904014

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide (CID 2779486) is N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide is O=C(CCl)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide?
The InChIKey is TUXNWIBGQYIZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF3NO/c10-5-1-2-7(15-8(16)4-11)6(3-5)9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide has a molecular weight of 316.50 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide is sourced from PubChem (CID 2779486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).