N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide

C17H12FNO4 — CID 749756

IUPACN-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3F)c(=O)oc12
InChIInChI=1S/C17H12FNO4/c1-22-14-8-4-5-10-9-11(17(21)23-15(10)14)16(20)19-13-7-3-2-6-12(13)18/h2-9H,1H3,(H,19,20)
InChIKeyIPYZBEYLZKNEQN-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.19
Rot. Bonds3

About N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide

N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 749756) has the molecular formula C17H12FNO4 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID749756
Molecular FormulaC17H12FNO4
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC NameN-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3F)c(=O)oc12
InChIInChI=1S/C17H12FNO4/c1-22-14-8-4-5-10-9-11(17(21)23-15(10)14)16(20)19-13-7-3-2-6-12(13)18/h2-9H,1H3,(H,19,20)
InChIKeyIPYZBEYLZKNEQN-UHFFFAOYSA-N
XLogP3.19
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-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

8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122302958
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate
CID 4068461
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
CID 41493067

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide (CID 749756) is N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccc3F)c(=O)oc12.
What is the InChIKey of N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is IPYZBEYLZKNEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4/c1-22-14-8-4-5-10-9-11(17(21)23-15(10)14)16(20)19-13-7-3-2-6-12(13)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide?
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 749756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).