N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide

C24H16ClNO3 — CID 3445645

IUPACN-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1c(C(=O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C24H16ClNO3/c25-19-12-6-4-8-16(19)14-15-21(27)26-22-18-11-5-7-13-20(18)29-24(22)23(28)17-9-2-1-3-10-17/h1-15H,(H,26,27)
InChIKeyUNVGONXZUMSJID-UHFFFAOYSA-N
MW401.85 g/mol
LogP5.97
Rot. Bonds5

About N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide

N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide (PubChem CID 3445645) has the molecular formula C24H16ClNO3 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide
PubChem CID3445645
Molecular FormulaC24H16ClNO3
Molecular Weight401.85 g/mol
Exact Mass401.08
IUPAC NameN-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1c(C(=O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C24H16ClNO3/c25-19-12-6-4-8-16(19)14-15-21(27)26-22-18-11-5-7-13-20(18)29-24(22)23(28)17-9-2-1-3-10-17/h1-15H,(H,26,27)
InChIKeyUNVGONXZUMSJID-UHFFFAOYSA-N
XLogP5.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 55.97
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

(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 1341670
N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
(E)-N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 19114821
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 6121168
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829831
(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6025623

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide (CID 3445645) is N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)Nc1c(C(=O)c2ccccc2)oc2ccccc12.
What is the InChIKey of N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide?
The InChIKey is UNVGONXZUMSJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO3/c25-19-12-6-4-8-16(19)14-15-21(27)26-22-18-11-5-7-13-20(18)29-24(22)23(28)17-9-2-1-3-10-17/h1-15H,(H,26,27).
What are the key properties of N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide?
N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide has a molecular weight of 401.85 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-1-benzofuran-3-yl)-3-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 3445645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).