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

C13H9BrFNO2 — CID 77069436

IUPACN-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H9BrFNO2/c14-11-5-3-9(8-12(11)15)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)
InChIKeyIBLIFHBPNHWGJV-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.83
Rot. Bonds3

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

N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 77069436) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID77069436
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC NameN-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H9BrFNO2/c14-11-5-3-9(8-12(11)15)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)
InChIKeyIBLIFHBPNHWGJV-UHFFFAOYSA-N
XLogP3.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.83
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-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 961103
(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 103274604
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide
CID 113231012
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
3-fluoro-4-[3-(furan-2-yl)prop-2-enoylamino]benzoic acid
CID 76988155
(E)-N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1339097

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide (CID 77069436) is N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is IBLIFHBPNHWGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-11-5-3-9(8-12(11)15)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17).
What are the key properties of N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 310.12 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 77069436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).