(E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide

C19H12BrCl2NO2 — CID 45051448

IUPAC(E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C19H12BrCl2NO2/c20-12-5-8-17(16(22)11-12)23-19(24)10-7-13-6-9-18(25-13)14-3-1-2-4-15(14)21/h1-11H,(H,23,24)/b10-7+
InChIKeyVTWGIPONAKJZIY-JXMROGBWSA-N
MW437.12 g/mol
LogP6.67
Rot. Bonds4

About (E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide

(E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 45051448) has the molecular formula C19H12BrCl2NO2 and a molecular weight of 437.12 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID45051448
Molecular FormulaC19H12BrCl2NO2
Molecular Weight437.12 g/mol
Exact Mass434.94
IUPAC Name(E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C19H12BrCl2NO2/c20-12-5-8-17(16(22)11-12)23-19(24)10-7-13-6-9-18(25-13)14-3-1-2-4-15(14)21/h1-11H,(H,23,24)/b10-7+
InChIKeyVTWGIPONAKJZIY-JXMROGBWSA-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'}

Analyze (E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 3898561
N-(2-Chlorophenyl)-2-cyano-3-(5-phenyl-2-furyl)acrylamide
CID 1556668
(3Z)-5-bromo-3-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-1,3-dihydro-2H-indol-2-one
CID 7826102
N-(4-bromo-2-chloro-phenyl)-2-(3-phenoxyphenyl)acetamide
CID 57391207
(3Z)-3-[[5-(3-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
CID 71511449
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one
CID 71511525
3-(5-(2-Chlorophenyl)-2-furyl)-N-(4-methylphenyl)-2-propenamide
CID 800338
3-(5-(2-Chlorophenyl)-2-furyl)-N-(4-methoxyphenyl)-2-propenamide
CID 1324983
N,5-Bis(2-chlorophenyl)-2-furamide
CID 4493814
N-(2-Bromophenyl)-5-(2-chlorophenyl)-2-furamide
CID 4494063
N-(3-Bromophenyl)-5-(2-chlorophenyl)-2-furamide
CID 4494075
N-(3-Chlorophenyl)-3-(5-(4-chlorophenyl)-2-furyl)propanamide
CID 24212530

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide (CID 45051448) is (E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide is O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of (E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is VTWGIPONAKJZIY-JXMROGBWSA-N. The full InChI is InChI=1S/C19H12BrCl2NO2/c20-12-5-8-17(16(22)11-12)23-19(24)10-7-13-6-9-18(25-13)14-3-1-2-4-15(14)21/h1-11H,(H,23,24)/b10-7+.
What are the key properties of (E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
(E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)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-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 45051448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).