2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide

C17H15F3N2O2 — CID 167816085

IUPAC2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide
SMILESNC(C(=O)NC1CCOc2cc(F)cc(F)c21)c1ccccc1F
InChIInChI=1S/C17H15F3N2O2/c18-9-7-12(20)15-13(5-6-24-14(15)8-9)22-17(23)16(21)10-3-1-2-4-11(10)19/h1-4,7-8,13,16H,5-6,21H2,(H,22,23)
InChIKeyPIKUQZVKPAOLID-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.74
Rot. Bonds3

About 2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide

2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 167816085) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide
PubChem CID167816085
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide
SMILESNC(C(=O)NC1CCOc2cc(F)cc(F)c21)c1ccccc1F
InChIInChI=1S/C17H15F3N2O2/c18-9-7-12(20)15-13(5-6-24-14(15)8-9)22-17(23)16(21)10-3-1-2-4-11(10)19/h1-4,7-8,13,16H,5-6,21H2,(H,22,23)
InChIKeyPIKUQZVKPAOLID-UHFFFAOYSA-N
XLogP2.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
benzyl N-(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate
CID 172615311
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
N-[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 171443168
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
2-amino-N-(5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110478824
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
1-[(3S)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99778476
2-amino-2-phenyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide;hydrochloride
CID 119310398
N-[(2S)-1-(3,4-dihydro-2H-chromen-4-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55942917
N-[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 8927888
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of 2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide (CID 167816085) is 2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide is NC(C(=O)NC1CCOc2cc(F)cc(F)c21)c1ccccc1F.
What is the InChIKey of 2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is PIKUQZVKPAOLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-9-7-12(20)15-13(5-6-24-14(15)8-9)22-17(23)16(21)10-3-1-2-4-11(10)19/h1-4,7-8,13,16H,5-6,21H2,(H,22,23).
What are the key properties of 2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide?
2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide has a molecular weight of 336.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 167816085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).