(E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide

C18H11Cl2NO3 — CID 162660283

IUPAC(E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C18H11Cl2NO3/c19-13-7-11(8-14(20)10-13)1-5-17(22)21-15-3-4-16-12(9-15)2-6-18(23)24-16/h1-10H,(H,21,22)/b5-1+
InChIKeyMMRQAJBLVZTUQQ-ORCRQEGFSA-N
MW360.20 g/mol
LogP4.75
Rot. Bonds3

About (E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide

(E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide (PubChem CID 162660283) has the molecular formula C18H11Cl2NO3 and a molecular weight of 360.20 g/mol. Its IUPAC name is (E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide
PubChem CID162660283
Molecular FormulaC18H11Cl2NO3
Molecular Weight360.20 g/mol
Exact Mass359.01
IUPAC Name(E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C18H11Cl2NO3/c19-13-7-11(8-14(20)10-13)1-5-17(22)21-15-3-4-16-12(9-15)2-6-18(23)24-16/h1-10H,(H,21,22)/b5-1+
InChIKeyMMRQAJBLVZTUQQ-ORCRQEGFSA-N
XLogP4.75
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
N-(3-chlorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724205
6-Acetamidocoumarin
CID 13262
N-(3-chlorophenyl)-6-methyl-2-oxo-2H-chromene-3-carboxamide
CID 24860443
N-(4-chlorophenyl)-6-methyl-2-oxo-2H-chromene-3-carboxamide
CID 24860444
N-(2-oxochromen-6-yl)butanamide
CID 969013
(E)-3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692416
N-(4-Chlorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724206
2-(2-methylphenoxy)-N-(2-oxo-2H-chromen-6-yl)acetamide
CID 969017
4-(Acetylamino)phenyl 4-chlorobenzoate
CID 586902
(2E)-N-(2-oxo-2H-chromen-6-yl)-3-phenylprop-2-enamide
CID 938899
(2E)-3-(4-methoxyphenyl)-N-(2-oxo-2H-chromen-6-yl)prop-2-enamide
CID 16649050

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide (CID 162660283) is (E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide is O=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of (E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide?
The InChIKey is MMRQAJBLVZTUQQ-ORCRQEGFSA-N. The full InChI is InChI=1S/C18H11Cl2NO3/c19-13-7-11(8-14(20)10-13)1-5-17(22)21-15-3-4-16-12(9-15)2-6-18(23)24-16/h1-10H,(H,21,22)/b5-1+.
What are the key properties of (E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide?
(E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide has a molecular weight of 360.20 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dichlorophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide is sourced from PubChem (CID 162660283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).