(E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide

C20H16ClNO4 — CID 51370741

IUPAC(E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide
SMILESCOc1ccc(C(C)=O)cc1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C20H16ClNO4/c1-12(23)13-3-6-19(25-2)17(11-13)22-20(24)8-5-16-10-14-9-15(21)4-7-18(14)26-16/h3-11H,1-2H3,(H,22,24)/b8-5+
InChIKeyAHDYSROLSQGLQL-VMPITWQZSA-N
MW369.80 g/mol
LogP4.95
Rot. Bonds5

About (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide

(E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide (PubChem CID 51370741) has the molecular formula C20H16ClNO4 and a molecular weight of 369.80 g/mol. Its IUPAC name is (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide
PubChem CID51370741
Molecular FormulaC20H16ClNO4
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC Name(E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide
SMILESCOc1ccc(C(C)=O)cc1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C20H16ClNO4/c1-12(23)13-3-6-19(25-2)17(11-13)22-20(24)8-5-16-10-14-9-15(21)4-7-18(14)26-16/h3-11H,1-2H3,(H,22,24)/b8-5+
InChIKeyAHDYSROLSQGLQL-VMPITWQZSA-N
XLogP4.95
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-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

(E)-3-(5-bromofuran-2-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 26582535
(E)-N-(5-acetyl-2-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 94763117
methyl 4-[(E)-3-(5-chloro-2-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 40627752
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 51370920
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 887196
(E)-N-(3-acetylphenyl)-3-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 17171618
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
3-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 4263710
3-[3-(5-iodofuran-2-yl)prop-2-enoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 76866550
3-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686358

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide (CID 51370741) is (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide is COc1ccc(C(C)=O)cc1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide?
The InChIKey is AHDYSROLSQGLQL-VMPITWQZSA-N. The full InChI is InChI=1S/C20H16ClNO4/c1-12(23)13-3-6-19(25-2)17(11-13)22-20(24)8-5-16-10-14-9-15(21)4-7-18(14)26-16/h3-11H,1-2H3,(H,22,24)/b8-5+.
What are the key properties of (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide?
(E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide has a molecular weight of 369.80 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-acetyl-2-methoxyphenyl)-3-(5-chloro-1-benzofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 51370741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).