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

C20H16ClNO3 — CID 1324983

IUPAC(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H16ClNO3/c1-24-15-8-6-14(7-9-15)22-20(23)13-11-16-10-12-19(25-16)17-4-2-3-5-18(17)21/h2-13H,1H3,(H,22,23)/b13-11+
InChIKeyPCAYWHURRDNVOE-ACCUITESSA-N
MW353.81 g/mol
LogP5.26
Rot. Bonds5

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

(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 1324983) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID1324983
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H16ClNO3/c1-24-15-8-6-14(7-9-15)22-20(23)13-11-16-10-12-19(25-16)17-4-2-3-5-18(17)21/h2-13H,1H3,(H,22,23)/b13-11+
InChIKeyPCAYWHURRDNVOE-ACCUITESSA-N
XLogP5.26
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.81
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-N-(4-ethoxyphenyl)-5-(methylthio)benzamide
CID 603984
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
3-Chloranyl-~{n}-(4-Methoxyphenyl)-4-[(2-Methyl-3-Oxidanylidene-Cyclopenten-1-Yl)amino]benzamide
CID 90718189
N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 565664
4-Chloro-4'-ethoxybenzanilide
CID 587141
2-Chloro-M-benzanisidide
CID 687085
(2S)-3-(2-chlorophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648319
N-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 942336
N-(4-acetamidophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 1090755
2-chloro-N-{3-[(3-methoxybenzoyl)amino]phenyl}benzamide
CID 1365873
N1-[4-(5-chlorobenzo[b]furan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 2725761

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide (CID 1324983) is (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1.
What is the InChIKey of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is PCAYWHURRDNVOE-ACCUITESSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-24-15-8-6-14(7-9-15)22-20(23)13-11-16-10-12-19(25-16)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-methoxyphenyl)prop-2-enamide?
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 353.81 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1324983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).