2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide

C19H21FN2O2 — CID 50948436

IUPAC2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CNC[C@H]1CCc2ccccc2O1)NCc1ccccc1F
InChIInChI=1S/C19H21FN2O2/c20-17-7-3-1-6-15(17)11-22-19(23)13-21-12-16-10-9-14-5-2-4-8-18(14)24-16/h1-8,16,21H,9-13H2,(H,22,23)/t16-/m1/s1
InChIKeyFMNMRHVOJWMZMF-MRXNPFEDSA-N
MW328.39 g/mol
LogP2.43
Rot. Bonds6

About 2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide

2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 50948436) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID50948436
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CNC[C@H]1CCc2ccccc2O1)NCc1ccccc1F
InChIInChI=1S/C19H21FN2O2/c20-17-7-3-1-6-15(17)11-22-19(23)13-21-12-16-10-9-14-5-2-4-8-18(14)24-16/h1-8,16,21H,9-13H2,(H,22,23)/t16-/m1/s1
InChIKeyFMNMRHVOJWMZMF-MRXNPFEDSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 138714590
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CID 43465750
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
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N-[(2-fluorophenyl)methyl]-2-[(4-methylsulfonylmorpholin-2-yl)methylamino]acetamide
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CID 134128099
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(3-methylbutyl)acetamide
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CID 18105806
2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50981009
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 91400956
N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide (CID 50948436) is 2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide is O=C(CNC[C@H]1CCc2ccccc2O1)NCc1ccccc1F.
What is the InChIKey of 2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is FMNMRHVOJWMZMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-7-3-1-6-15(17)11-22-19(23)13-21-12-16-10-9-14-5-2-4-8-18(14)24-16/h1-8,16,21H,9-13H2,(H,22,23)/t16-/m1/s1.
What are the key properties of 2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 328.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 50948436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).