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

C20H16ClNO2 — CID 800338

IUPAC(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H16ClNO2/c1-14-6-8-15(9-7-14)22-20(23)13-11-16-10-12-19(24-16)17-4-2-3-5-18(17)21/h2-13H,1H3,(H,22,23)/b13-11+
InChIKeyIUIAHLKQMWIICZ-ACCUITESSA-N
MW337.81 g/mol
LogP5.56
Rot. Bonds4

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

(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide (PubChem CID 800338) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
PubChem CID800338
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Name(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H16ClNO2/c1-14-6-8-15(9-7-14)22-20(23)13-11-16-10-12-19(24-16)17-4-2-3-5-18(17)21/h2-13H,1H3,(H,22,23)/b13-11+
InChIKeyIUIAHLKQMWIICZ-ACCUITESSA-N
XLogP5.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.56
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

2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 565664
4-Chloro-4'-ethoxybenzanilide
CID 587141
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
4-((5-(3-Chloro-4-methylphenyl)furan-2-yl)methylene)-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione
CID 1728080
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 942336
N-(4-acetamidophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 1090755
N1-[4-(5-chlorobenzo[b]furan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 2725761
N-(4-chlorophenyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 2738406
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide (CID 800338) is (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1.
What is the InChIKey of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is IUIAHLKQMWIICZ-ACCUITESSA-N. The full InChI is InChI=1S/C20H16ClNO2/c1-14-6-8-15(9-7-14)22-20(23)13-11-16-10-12-19(24-16)17-4-2-3-5-18(17)21/h2-13H,1H3,(H,22,23)/b13-11+.
What are the key properties of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide?
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 337.81 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 800338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).