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

C18H11Cl2NO3 — CID 5082597

IUPAC3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1Cl)Nc1cc2ccccc2oc1=O
InChIInChI=1S/C18H11Cl2NO3/c19-13-6-3-5-11(17(13)20)8-9-16(22)21-14-10-12-4-1-2-7-15(12)24-18(14)23/h1-10H,(H,21,22)
InChIKeyMOJSZOWHHJAGBS-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.75
Rot. Bonds3

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

3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide (PubChem CID 5082597) has the molecular formula C18H11Cl2NO3 and a molecular weight of 360.20 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
PubChem CID5082597
Molecular FormulaC18H11Cl2NO3
Molecular Weight360.20 g/mol
Exact Mass359.01
IUPAC Name3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1Cl)Nc1cc2ccccc2oc1=O
InChIInChI=1S/C18H11Cl2NO3/c19-13-6-3-5-11(17(13)20)8-9-16(22)21-14-10-12-4-1-2-7-15(12)24-18(14)23/h1-10H,(H,21,22)
InChIKeyMOJSZOWHHJAGBS-UHFFFAOYSA-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

(E)-3-(2,3-dichlorophenyl)-N-(3-oxobenzo[f]chromen-2-yl)prop-2-enamide
CID 46496427
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
CID 4025638
(E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
CID 6057611
N-(2-oxochromen-3-yl)prop-2-enamide
CID 91937746
N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 75842438
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 53375224
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]prop-2-enamide
CID 4311631
3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 76859976
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
(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 3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide (CID 5082597) is 3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide is O=C(C=Cc1cccc(Cl)c1Cl)Nc1cc2ccccc2oc1=O.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide?
The InChIKey is MOJSZOWHHJAGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO3/c19-13-6-3-5-11(17(13)20)8-9-16(22)21-14-10-12-4-1-2-7-15(12)24-18(14)23/h1-10H,(H,21,22).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide?
3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-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 3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 5082597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).