N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C14H11BrFNO2 — CID 887928

IUPACN-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccc(Br)cc2F)o1
InChIInChI=1S/C14H11BrFNO2/c1-9-2-4-11(19-9)5-7-14(18)17-13-6-3-10(15)8-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyJWNONQJTXVZHIL-UHFFFAOYSA-N
MW324.15 g/mol
LogP4.14
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 887928) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID887928
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccc(Br)cc2F)o1
InChIInChI=1S/C14H11BrFNO2/c1-9-2-4-11(19-9)5-7-14(18)17-13-6-3-10(15)8-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyJWNONQJTXVZHIL-UHFFFAOYSA-N
XLogP4.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 54.14
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-(2-bromo-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47249112
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 896719
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 3990613
(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 897086
2-fluoro-4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791438
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2933195
2-fluoro-N-[4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765497
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 887928) is N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2ccc(Br)cc2F)o1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is JWNONQJTXVZHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-9-2-4-11(19-9)5-7-14(18)17-13-6-3-10(15)8-12(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 324.15 g/mol, XLogP of 4.14, 3 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-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 887928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).