(E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide

C22H18BrFN2O3 — CID 24518032

IUPAC(E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(CN(Cc1ccco1)C(=O)/C=C/c1cc(Br)ccc1F)Nc1ccccc1
InChIInChI=1S/C22H18BrFN2O3/c23-17-9-10-20(24)16(13-17)8-11-22(28)26(14-19-7-4-12-29-19)15-21(27)25-18-5-2-1-3-6-18/h1-13H,14-15H2,(H,25,27)/b11-8+
InChIKeyFMNFBVVMOLULBB-DHZHZOJOSA-N
MW457.30 g/mol
LogP4.86
Rot. Bonds7

About (E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide

(E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 24518032) has the molecular formula C22H18BrFN2O3 and a molecular weight of 457.30 g/mol. Its IUPAC name is (E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID24518032
Molecular FormulaC22H18BrFN2O3
Molecular Weight457.30 g/mol
Exact Mass456.05
IUPAC Name(E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(CN(Cc1ccco1)C(=O)/C=C/c1cc(Br)ccc1F)Nc1ccccc1
InChIInChI=1S/C22H18BrFN2O3/c23-17-9-10-20(24)16(13-17)8-11-22(28)26(14-19-7-4-12-29-19)15-21(27)25-18-5-2-1-3-6-18/h1-13H,14-15H2,(H,25,27)/b11-8+
InChIKeyFMNFBVVMOLULBB-DHZHZOJOSA-N
XLogP4.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.30
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 46638145
N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 85492334
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 26999891
(E)-3-(5-bromo-2-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]prop-2-enamide
CID 9080417
(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24518009
N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 18098352
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878
(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830822
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 4869481
(E)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide
CID 1056796
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18098359

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide (CID 24518032) is (E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide is O=C(CN(Cc1ccco1)C(=O)/C=C/c1cc(Br)ccc1F)Nc1ccccc1.
What is the InChIKey of (E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is FMNFBVVMOLULBB-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H18BrFN2O3/c23-17-9-10-20(24)16(13-17)8-11-22(28)26(14-19-7-4-12-29-19)15-21(27)25-18-5-2-1-3-6-18/h1-13H,14-15H2,(H,25,27)/b11-8+.
What are the key properties of (E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 457.30 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-anilino-2-oxoethyl)-3-(5-bromo-2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 24518032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).