(E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide

C13H9BrClNO2 — CID 2666173

IUPAC(E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClNO2/c14-12-7-5-11(18-12)6-8-13(17)16-10-3-1-9(15)2-4-10/h1-8H,(H,16,17)/b8-6+
InChIKeyQPBDPECKKQDDMN-SOFGYWHQSA-N
MW326.58 g/mol
LogP4.35
Rot. Bonds3

About (E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide (PubChem CID 2666173) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide
PubChem CID2666173
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClNO2/c14-12-7-5-11(18-12)6-8-13(17)16-10-3-1-9(15)2-4-10/h1-8H,(H,16,17)/b8-6+
InChIKeyQPBDPECKKQDDMN-SOFGYWHQSA-N
XLogP4.35
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 54.35
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)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 2319129
(E)-3-(5-bromofuran-2-yl)-N-(4-chloro-2-methylphenyl)prop-2-enamide
CID 2309603
(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide
CID 46693671
3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 47093671
3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4291160
(E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide
CID 26711709
3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
CID 4811542
(E)-3-(5-bromofuran-2-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 26582535
(E)-3-(5-bromofuran-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)prop-2-enamide
CID 2313865
4-[3-(5-bromofuran-2-yl)prop-2-enoylamino]pyridine-2-carboxylic acid
CID 77003492
N-[(4-bromophenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 3904939
3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide
CID 3913025

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide (CID 2666173) is (E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Br)o1)Nc1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide?
The InChIKey is QPBDPECKKQDDMN-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-12-7-5-11(18-12)6-8-13(17)16-10-3-1-9(15)2-4-10/h1-8H,(H,16,17)/b8-6+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide has a molecular weight of 326.58 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 2666173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).