4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide

C18H19FN2O2 — CID 110750983

IUPAC4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCOc3ccc(F)cc32)cc1
InChIInChI=1S/C18H19FN2O2/c1-21(2)14-6-3-12(4-7-14)18(22)20-16-9-10-23-17-8-5-13(19)11-15(16)17/h3-8,11,16H,9-10H2,1-2H3,(H,20,22)
InChIKeyZQOAFEBILCLAQZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.15
Rot. Bonds3

About 4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide

4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 110750983) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID110750983
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCOc3ccc(F)cc32)cc1
InChIInChI=1S/C18H19FN2O2/c1-21(2)14-6-3-12(4-7-14)18(22)20-16-9-10-23-17-8-5-13(19)11-15(16)17/h3-8,11,16H,9-10H2,1-2H3,(H,20,22)
InChIKeyZQOAFEBILCLAQZ-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide
CID 138004756
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
1-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 119041646
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
CID 110750976
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide
CID 126816609
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 82174716
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide (CID 110750983) is 4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide is CN(C)c1ccc(C(=O)NC2CCOc3ccc(F)cc32)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is ZQOAFEBILCLAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-21(2)14-6-3-12(4-7-14)18(22)20-16-9-10-23-17-8-5-13(19)11-15(16)17/h3-8,11,16H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide?
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide has a molecular weight of 314.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 110750983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).