N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide

C17H20FN3O2 — CID 136549794

IUPACN-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CC(C)(C)Oc3ccc(F)cc32)n1
InChIInChI=1S/C17H20FN3O2/c1-11-6-7-21(20-11)10-16(22)19-14-9-17(2,3)23-15-5-4-12(18)8-13(14)15/h4-8,14H,9-10H2,1-3H3,(H,19,22)
InChIKeySLCXQGGWCQFYGC-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.75
Rot. Bonds3

About N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide

N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 136549794) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID136549794
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CC(C)(C)Oc3ccc(F)cc32)n1
InChIInChI=1S/C17H20FN3O2/c1-11-6-7-21(20-11)10-16(22)19-14-9-17(2,3)23-15-5-4-12(18)8-13(14)15/h4-8,14H,9-10H2,1-3H3,(H,19,22)
InChIKeySLCXQGGWCQFYGC-UHFFFAOYSA-N
XLogP2.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide (CID 136549794) is N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)NC2CC(C)(C)Oc3ccc(F)cc32)n1.
What is the InChIKey of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is SLCXQGGWCQFYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-6-7-21(20-11)10-16(22)19-14-9-17(2,3)23-15-5-4-12(18)8-13(14)15/h4-8,14H,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide?
N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 317.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 136549794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).