(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide

C13H10BrNO2 — CID 963809

IUPAC(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc(Br)c1
InChIInChI=1S/C13H10BrNO2/c14-10-3-1-4-11(9-10)15-13(16)7-6-12-5-2-8-17-12/h1-9H,(H,15,16)/b7-6+
InChIKeyMDPNIXLTWUXZTD-VOTSOKGWSA-N
MW292.13 g/mol
LogP3.69
Rot. Bonds3

About (E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 963809) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is (E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID963809
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc(Br)c1
InChIInChI=1S/C13H10BrNO2/c14-10-3-1-4-11(9-10)15-13(16)7-6-12-5-2-8-17-12/h1-9H,(H,15,16)/b7-6+
InChIKeyMDPNIXLTWUXZTD-VOTSOKGWSA-N
XLogP3.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.69
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

3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 77069436
3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide
CID 804548
(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 961103
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
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
CID 695806
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 6213913

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide (CID 963809) is (E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cccc(Br)c1.
What is the InChIKey of (E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is MDPNIXLTWUXZTD-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H10BrNO2/c14-10-3-1-4-11(9-10)15-13(16)7-6-12-5-2-8-17-12/h1-9H,(H,15,16)/b7-6+.
What are the key properties of (E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 292.13 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 963809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).