N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide

C10H6BrF3N2O — CID 143635671

IUPACN-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(Br)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C10H6BrF3N2O/c1-6(17)16(11)8-3-2-7(5-15)9(4-8)10(12,13)14/h2-4H,1H3
InChIKeyFUJULSJRGGNHOK-UHFFFAOYSA-N
MW307.07 g/mol
LogP3.24
Rot. Bonds1

About N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide

N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 143635671) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
PubChem CID143635671
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC NameN-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(Br)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C10H6BrF3N2O/c1-6(17)16(11)8-3-2-7(5-15)9(4-8)10(12,13)14/h2-4H,1H3
InChIKeyFUJULSJRGGNHOK-UHFFFAOYSA-N
XLogP3.24
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylamino)-2-(trifluoromethyl)benzonitrile
CID 11356913
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 43375326
N-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide
CID 141070134
2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 62819452
1-[4-cyano-3-(trifluoromethyl)phenyl]-1-methylthiourea
CID 88904021
4-cyano-3-(trifluoromethyl)benzoic acid
CID 91882481
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide
CID 60581890
(2S)-2-[4-cyano-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)anilino]propanamide
CID 11268213
4-(dibutylamino)-2-(trifluoromethyl)benzonitrile
CID 11392366
4-[methyl(propyl)amino]-2-(trifluoromethyl)benzonitrile
CID 43271422
4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile
CID 11521859
4-[methyl(3-methylbutan-2-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 11694681

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide (CID 143635671) is N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide is CC(=O)N(Br)c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FUJULSJRGGNHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c1-6(17)16(11)8-3-2-7(5-15)9(4-8)10(12,13)14/h2-4H,1H3.
What are the key properties of N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide?
N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 307.07 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 143635671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).