N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide

C10H7BrF3NO — CID 13411359

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H7BrF3NO/c1-2-9(16)15-6-3-4-8(11)7(5-6)10(12,13)14/h2-5H,1H2,(H,15,16)
InChIKeyPZDHQJSYGVIDBE-UHFFFAOYSA-N
MW294.07 g/mol
LogP3.59
Rot. Bonds2

About N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide

N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 13411359) has the molecular formula C10H7BrF3NO and a molecular weight of 294.07 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID13411359
Molecular FormulaC10H7BrF3NO
Molecular Weight294.07 g/mol
Exact Mass292.97
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H7BrF3NO/c1-2-9(16)15-6-3-4-8(11)7(5-6)10(12,13)14/h2-5H,1H2,(H,15,16)
InChIKeyPZDHQJSYGVIDBE-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbut-2-enamide
CID 42997959
methyl 2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112617350
5-[4-bromo-3-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 60699581
1-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 114982493
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
CID 115575186
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 66817245
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 64854761
2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974356
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide (CID 13411359) is N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is PZDHQJSYGVIDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO/c1-2-9(16)15-6-3-4-8(11)7(5-6)10(12,13)14/h2-5H,1H2,(H,15,16).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 294.07 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 13411359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).