3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide

C22H17NO3 — CID 4558442

IUPAC3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)cc1C
InChIInChI=1S/C22H17NO3/c1-13-7-8-16(11-14(13)2)21(24)23-19-12-18-17-6-4-3-5-15(17)9-10-20(18)26-22(19)25/h3-12H,1-2H3,(H,23,24)
InChIKeyLLYYSKIRZDAUPH-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.82
Rot. Bonds2

About 3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide

3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide (PubChem CID 4558442) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide
PubChem CID4558442
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)cc1C
InChIInChI=1S/C22H17NO3/c1-13-7-8-16(11-14(13)2)21(24)23-19-12-18-17-6-4-3-5-15(17)9-10-20(18)26-22(19)25/h3-12H,1-2H3,(H,23,24)
InChIKeyLLYYSKIRZDAUPH-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'}

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Related Compounds

3-Benzamidocoumarin
CID 252608
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-oxochromen-6-yl)oxyethyl]propanamide
CID 137643949
3-methoxy-N-(2-oxochromen-6-yl)naphthalene-2-carboxamide
CID 965782
(Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid
CID 6480707
3-Acetoxy-2-naphthanilide
CID 96045
1-[(Benzoylamino)methyl]-2-naphthyl propionate
CID 796807
4-methyl-N-(2-oxo-2H-chromen-3-yl)benzamide
CID 3988576
3-methoxy-N-(6-methoxy-2-oxo-2H-chromen-3-yl)benzamide
CID 4217379
N-(3-oxobenzo[f]chromen-2-yl)acetamide
CID 5058762
Methyl 4-[[(6-methoxynaphthalene-2-carbonyl)amino]methyl]benzoate
CID 51355169
[3-[[4-Methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate
CID 56670100
(Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid
CID 6480711

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide (CID 4558442) is 3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide is Cc1ccc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide?
The InChIKey is LLYYSKIRZDAUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-13-7-8-16(11-14(13)2)21(24)23-19-12-18-17-6-4-3-5-15(17)9-10-20(18)26-22(19)25/h3-12H,1-2H3,(H,23,24).
What are the key properties of 3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide?
3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide 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 3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide is sourced from PubChem (CID 4558442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).