N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide

C20H11Cl2NO3 — CID 3692477

IUPACN-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C20H11Cl2NO3/c21-12-6-7-16(22)17(9-12)23-19(24)15-10-14-13-4-2-1-3-11(13)5-8-18(14)26-20(15)25/h1-10H,(H,23,24)
InChIKeyTZEDOIGJVFQUOM-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.51
Rot. Bonds2

About N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide

N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide (PubChem CID 3692477) has the molecular formula C20H11Cl2NO3 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
PubChem CID3692477
Molecular FormulaC20H11Cl2NO3
Molecular Weight384.22 g/mol
Exact Mass383.01
IUPAC NameN-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C20H11Cl2NO3/c21-12-6-7-16(22)17(9-12)23-19(24)15-10-14-13-4-2-1-3-11(13)5-8-18(14)26-20(15)25/h1-10H,(H,23,24)
InChIKeyTZEDOIGJVFQUOM-UHFFFAOYSA-N
XLogP5.51
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 792586
3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide
CID 19133047
3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
CID 2266147
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
dimethyl 5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 6616120
2-(3-chlorobenzoyl)benzo[f]chromen-3-one
CID 42637349
N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3316389
N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154798
6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 2283975
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide
CID 3953765

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide (CID 3692477) is N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cc2c(ccc3ccccc32)oc1=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide?
The InChIKey is TZEDOIGJVFQUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2NO3/c21-12-6-7-16(22)17(9-12)23-19(24)15-10-14-13-4-2-1-3-11(13)5-8-18(14)26-20(15)25/h1-10H,(H,23,24).
What are the key properties of N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide?
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide has a molecular weight of 384.22 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 3692477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).