N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

C20H20FN3O — CID 74251445

IUPACN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1Cc2ccccc2[C@@H]1N
InChIInChI=1S/C20H20FN3O/c1-11-15(16-9-13(21)6-7-17(16)23-11)10-19(25)24-18-8-12-4-2-3-5-14(12)20(18)22/h2-7,9,18,20,23H,8,10,22H2,1H3,(H,24,25)/t18-,20-/m0/s1
InChIKeyFGVQUTFKMWMKHU-ICSRJNTNSA-N
MW337.40 g/mol
LogP2.90
Rot. Bonds3

About N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 74251445) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID74251445
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1Cc2ccccc2[C@@H]1N
InChIInChI=1S/C20H20FN3O/c1-11-15(16-9-13(21)6-7-17(16)23-11)10-19(25)24-18-8-12-4-2-3-5-14(12)20(18)22/h2-7,9,18,20,23H,8,10,22H2,1H3,(H,24,25)/t18-,20-/m0/s1
InChIKeyFGVQUTFKMWMKHU-ICSRJNTNSA-N
XLogP2.90
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 74251445) is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1Cc2ccccc2[C@@H]1N.
What is the InChIKey of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is FGVQUTFKMWMKHU-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-11-15(16-9-13(21)6-7-17(16)23-11)10-19(25)24-18-8-12-4-2-3-5-14(12)20(18)22/h2-7,9,18,20,23H,8,10,22H2,1H3,(H,24,25)/t18-,20-/m0/s1.
What are the key properties of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 74251445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).