N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide

C17H14Cl2N2O3 — CID 51116847

IUPACN'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C17H14Cl2N2O3/c18-11-5-3-6-13(15(11)19)21-17(23)16(22)20-12-8-9-24-14-7-2-1-4-10(12)14/h1-7,12H,8-9H2,(H,20,22)(H,21,23)
InChIKeyLIZDBNWBOLUEGA-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.57
Rot. Bonds2

About N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide

N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide (PubChem CID 51116847) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide
PubChem CID51116847
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC NameN'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C17H14Cl2N2O3/c18-11-5-3-6-13(15(11)19)21-17(23)16(22)20-12-8-9-24-14-7-2-1-4-10(12)14/h1-7,12H,8-9H2,(H,20,22)(H,21,23)
InChIKeyLIZDBNWBOLUEGA-UHFFFAOYSA-N
XLogP3.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46829045
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
(E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757177
N-(3,4-dihydro-2H-chromen-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51083914
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide?
The IUPAC name of N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide (CID 51116847) is N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide.
What is the SMILES notation for N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide?
The canonical SMILES for N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide is O=C(Nc1cccc(Cl)c1Cl)C(=O)NC1CCOc2ccccc21.
What is the InChIKey of N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide?
The InChIKey is LIZDBNWBOLUEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c18-11-5-3-6-13(15(11)19)21-17(23)16(22)20-12-8-9-24-14-7-2-1-4-10(12)14/h1-7,12H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide?
N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide has a molecular weight of 365.22 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide is sourced from PubChem (CID 51116847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).