(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide

C14H11BrFNO2 — CID 103274604

IUPAC(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1cc(F)c(Br)cc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H11BrFNO2/c1-9-7-12(16)11(15)8-13(9)17-14(18)5-4-10-3-2-6-19-10/h2-8H,1H3,(H,17,18)/b5-4+
InChIKeyXBSQMKQMHXARFF-SNAWJCMRSA-N
MW324.15 g/mol
LogP4.14
Rot. Bonds3

About (E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 103274604) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is (E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID103274604
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1cc(F)c(Br)cc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H11BrFNO2/c1-9-7-12(16)11(15)8-13(9)17-14(18)5-4-10-3-2-6-19-10/h2-8H,1H3,(H,17,18)/b5-4+
InChIKeyXBSQMKQMHXARFF-SNAWJCMRSA-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-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2683689
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 77069436
N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 103274678
N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880816
(E)-N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880817
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-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide
CID 113231012
(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide
CID 6215097
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
methyl 5-bromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 8001465
2-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-methylphenoxy]acetic acid
CID 17362080

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide (CID 103274604) is (E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide is Cc1cc(F)c(Br)cc1NC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is XBSQMKQMHXARFF-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-9-7-12(16)11(15)8-13(9)17-14(18)5-4-10-3-2-6-19-10/h2-8H,1H3,(H,17,18)/b5-4+.
What are the key properties of (E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-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 (E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 103274604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).