(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide

C19H12BrCl2NO2 — CID 22780629

IUPAC(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1Br
InChIInChI=1S/C19H12BrCl2NO2/c20-16-3-1-2-4-17(16)23-19(24)8-6-15-5-7-18(25-15)12-9-13(21)11-14(22)10-12/h1-11H,(H,23,24)/b8-6+
InChIKeyRZPVTQOOWRASGG-SOFGYWHQSA-N
MW437.12 g/mol
LogP6.67
Rot. Bonds4

About (E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide

(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 22780629) has the molecular formula C19H12BrCl2NO2 and a molecular weight of 437.12 g/mol. Its IUPAC name is (E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID22780629
Molecular FormulaC19H12BrCl2NO2
Molecular Weight437.12 g/mol
Exact Mass434.94
IUPAC Name(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1Br
InChIInChI=1S/C19H12BrCl2NO2/c20-16-3-1-2-4-17(16)23-19(24)8-6-15-5-7-18(25-15)12-9-13(21)11-14(22)10-12/h1-11H,(H,23,24)/b8-6+
InChIKeyRZPVTQOOWRASGG-SOFGYWHQSA-N
XLogP6.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.12
LogP ≤ 56.67
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-(3,5-dichlorophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678289
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 22778031
(E)-N-(4-aminophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 100828816
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[(2-methylphenyl)carbamothioyl]prop-2-enamide
CID 22779420
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[(2-sulfanylphenyl)carbamothioyl]prop-2-enamide
CID 17103938
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]prop-2-enamide
CID 17098716
4-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686539
2-chloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide
CID 17117694
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5349050
(E)-N-(2-chloro-5-nitrophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780766
(E)-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17319208
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28665530

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide (CID 22780629) is (E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide is O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1Br.
What is the InChIKey of (E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is RZPVTQOOWRASGG-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H12BrCl2NO2/c20-16-3-1-2-4-17(16)23-19(24)8-6-15-5-7-18(25-15)12-9-13(21)11-14(22)10-12/h1-11H,(H,23,24)/b8-6+.
What are the key properties of (E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 437.12 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 22780629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).