N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide

C22H17NO3 — CID 16645676

IUPACN-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1ccccc1
InChIInChI=1S/C22H17NO3/c1-2-23(16-9-4-3-5-10-16)21(24)19-14-18-17-11-7-6-8-15(17)12-13-20(18)26-22(19)25/h3-14H,2H2,1H3
InChIKeyIYRNJATVADGLGM-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.61
Rot. Bonds3

About N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide

N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide (PubChem CID 16645676) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide
PubChem CID16645676
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC NameN-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1ccccc1
InChIInChI=1S/C22H17NO3/c1-2-23(16-9-4-3-5-10-16)21(24)19-14-18-17-11-7-6-8-15(17)12-13-20(18)26-22(19)25/h3-14H,2H2,1H3
InChIKeyIYRNJATVADGLGM-UHFFFAOYSA-N
XLogP4.61
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
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

N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
2-(2,2-dimethylpropanoyl)benzo[f]chromen-3-one
CID 12060597
N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 1259476
2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid
CID 54511869
N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154858
N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 43960122
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide;hydrochloride
CID 44926149
acetamido-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]azanium
CID 6989424
N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide;hydrochloride
CID 44928682
N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 43960304
3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
2-(5-acetyl-6-oxopyran-2-yl)benzo[f]chromen-3-one
CID 71770111

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide?
The IUPAC name of N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide (CID 16645676) is N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide is CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1ccccc1.
What is the InChIKey of N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide?
The InChIKey is IYRNJATVADGLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-2-23(16-9-4-3-5-10-16)21(24)19-14-18-17-11-7-6-8-15(17)12-13-20(18)26-22(19)25/h3-14H,2H2,1H3.
What are the key properties of N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide?
N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 16645676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).