N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide

C16H9ClFNO3 — CID 4276970

IUPACN-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide
SMILESO=C(Nc1cc2cc(Cl)ccc2oc1=O)c1ccccc1F
InChIInChI=1S/C16H9ClFNO3/c17-10-5-6-14-9(7-10)8-13(16(21)22-14)19-15(20)11-3-1-2-4-12(11)18/h1-8H,(H,19,20)
InChIKeyCMCVHJALWIKTEO-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.84
Rot. Bonds2

About N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide

N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide (PubChem CID 4276970) has the molecular formula C16H9ClFNO3 and a molecular weight of 317.70 g/mol. Its IUPAC name is N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide
PubChem CID4276970
Molecular FormulaC16H9ClFNO3
Molecular Weight317.70 g/mol
Exact Mass317.03
IUPAC NameN-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide
SMILESO=C(Nc1cc2cc(Cl)ccc2oc1=O)c1ccccc1F
InChIInChI=1S/C16H9ClFNO3/c17-10-5-6-14-9(7-10)8-13(16(21)22-14)19-15(20)11-3-1-2-4-12(11)18/h1-8H,(H,19,20)
InChIKeyCMCVHJALWIKTEO-UHFFFAOYSA-N
XLogP3.84
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 792586
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
N-(4-bromo-2-fluorophenyl)-6-chloro-2-oxochromene-3-carboxamide
CID 100795022
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
CID 4025638
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide
CID 1208241
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
6-chloro-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 4312248
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 17096222
2-(6-chloro-2-oxochromen-3-yl)benzoic acid
CID 23968320

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide?
The IUPAC name of N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide (CID 4276970) is N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide is O=C(Nc1cc2cc(Cl)ccc2oc1=O)c1ccccc1F.
What is the InChIKey of N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide?
The InChIKey is CMCVHJALWIKTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO3/c17-10-5-6-14-9(7-10)8-13(16(21)22-14)19-15(20)11-3-1-2-4-12(11)18/h1-8H,(H,19,20).
What are the key properties of N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide?
N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide has a molecular weight of 317.70 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 4276970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).