N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide

C22H17NO3 — CID 3316389

IUPACN-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1C
InChIInChI=1S/C22H17NO3/c1-13-7-9-16(11-14(13)2)23-21(24)19-12-18-17-6-4-3-5-15(17)8-10-20(18)26-22(19)25/h3-12H,1-2H3,(H,23,24)
InChIKeyZQQJLZALUPLWNT-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.82
Rot. Bonds2

About N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide

N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide (PubChem CID 3316389) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
PubChem CID3316389
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC NameN-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1C
InChIInChI=1S/C22H17NO3/c1-13-7-9-16(11-14(13)2)23-21(24)19-12-18-17-6-4-3-5-15(17)8-10-20(18)26-22(19)25/h3-12H,1-2H3,(H,23,24)
InChIKeyZQQJLZALUPLWNT-UHFFFAOYSA-N
XLogP4.82
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.82
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'}

Analyze N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
CID 2266147
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
dimethyl 5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 6616120
N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 827865
N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154798
3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide
CID 4558442
3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
CID 43976714
ethyl 3-methyl-5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]thiophene-2-carboxylate
CID 7126145
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3692477
2-(2,2-dimethylpropanoyl)benzo[f]chromen-3-one
CID 12060597

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide (CID 3316389) is N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide is Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide?
The InChIKey is ZQQJLZALUPLWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-13-7-9-16(11-14(13)2)23-21(24)19-12-18-17-6-4-3-5-15(17)8-10-20(18)26-22(19)25/h3-12H,1-2H3,(H,23,24).
What are the key properties of N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide?
N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 3316389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).