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

C14H18FNO2 — CID 110751259

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C14H18FNO2/c1-14(2,3)13(17)16-11-6-7-18-12-5-4-9(15)8-10(11)12/h4-5,8,11H,6-7H2,1-3H3,(H,16,17)
InChIKeyCHJWCRVMUDDYLW-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.81
Rot. Bonds1

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

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide (PubChem CID 110751259) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
PubChem CID110751259
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C14H18FNO2/c1-14(2,3)13(17)16-11-6-7-18-12-5-4-9(15)8-10(11)12/h4-5,8,11H,6-7H2,1-3H3,(H,16,17)
InChIKeyCHJWCRVMUDDYLW-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
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
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 110750983
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
CID 110750884
1-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 119041646
(E)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)but-2-enamide
CID 110477991
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
CID 110750976
2,2-dimethyl-N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110479668

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide (CID 110751259) is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCOc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide?
The InChIKey is CHJWCRVMUDDYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2,3)13(17)16-11-6-7-18-12-5-4-9(15)8-10(11)12/h4-5,8,11H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide?
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide has a molecular weight of 251.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 110751259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).