N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide

C8H4BrClF3NO — CID 168653021

IUPACN-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H4BrClF3NO/c9-4-1-5(8(11,12)13)7(14-3-15)6(10)2-4/h1-3H,(H,14,15)
InChIKeyOMKAEPXLYRVLLW-UHFFFAOYSA-N
MW302.48 g/mol
LogP3.69
Rot. Bonds2

About N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide

N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide (PubChem CID 168653021) has the molecular formula C8H4BrClF3NO and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide
PubChem CID168653021
Molecular FormulaC8H4BrClF3NO
Molecular Weight302.48 g/mol
Exact Mass300.91
IUPAC NameN-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H4BrClF3NO/c9-4-1-5(8(11,12)13)7(14-3-15)6(10)2-4/h1-3H,(H,14,15)
InChIKeyOMKAEPXLYRVLLW-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide
CID 168653043
1-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 171916810
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
N-(2,6-dichloro-4-fluorophenyl)formamide
CID 15767077
5-bromo-1-chloro-2-isocyanato-3-(trifluoromethyl)benzene
CID 169352144
N-[2,3,6-trichloro-4-(trifluoromethylsulfanyl)phenyl]formamide
CID 168653250
N-(2,4-dichloro-6-fluorophenyl)formamide
CID 168654029
tert-butyl N-[1-[[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]carbamate
CID 171919341
5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 54758728
4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 131354810
2-[[2,4-dibromo-6-(trifluoromethyl)anilino]methylidene]propanedinitrile
CID 168511705
5-bromo-2-(methylamino)-3-(trifluoromethyl)benzonitrile
CID 156808243

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide (CID 168653021) is N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide is O=CNc1c(Cl)cc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide?
The InChIKey is OMKAEPXLYRVLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF3NO/c9-4-1-5(8(11,12)13)7(14-3-15)6(10)2-4/h1-3H,(H,14,15).
What are the key properties of N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide?
N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]formamide has a molecular weight of 302.48 g/mol, XLogP of 3.69, 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-chloro-6-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 168653021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).