N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide

C17H15BrFNO2 — CID 75997090

IUPACN-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H15BrFNO2/c1-2-22-16-6-4-3-5-12(16)7-10-17(21)20-15-9-8-13(18)11-14(15)19/h3-11H,2H2,1H3,(H,20,21)
InChIKeyPEABUQZJBBLZGY-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.64
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide

N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 75997090) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID75997090
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H15BrFNO2/c1-2-22-16-6-4-3-5-12(16)7-10-17(21)20-15-9-8-13(18)11-14(15)19/h3-11H,2H2,1H3,(H,20,21)
InChIKeyPEABUQZJBBLZGY-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide
CID 53267575
(E)-N-(4-bromo-2-fluorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2111077
3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4099886
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 51158911
(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 9165751
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 3990613
3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 1182153
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 7935033
(E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide
CID 53267913
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949
3-(5-bromo-2-fluorophenyl)-N-(2-ethoxy-5-methoxyphenyl)prop-2-enamide
CID 72687951

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide (CID 75997090) is N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1C=CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is PEABUQZJBBLZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c1-2-22-16-6-4-3-5-12(16)7-10-17(21)20-15-9-8-13(18)11-14(15)19/h3-11H,2H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 364.21 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 75997090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).