N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide

C18H15FN2O — CID 86955794

IUPACN-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESN#Cc1cc(NC(=O)CC2CCc3ccccc32)ccc1F
InChIInChI=1S/C18H15FN2O/c19-17-8-7-15(9-14(17)11-20)21-18(22)10-13-6-5-12-3-1-2-4-16(12)13/h1-4,7-9,13H,5-6,10H2,(H,21,22)
InChIKeyLWBCTLDQVWPOFD-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.76
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide

N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 86955794) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID86955794
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESN#Cc1cc(NC(=O)CC2CCc3ccccc32)ccc1F
InChIInChI=1S/C18H15FN2O/c19-17-8-7-15(9-14(17)11-20)21-18(22)10-13-6-5-12-3-1-2-4-16(12)13/h1-4,7-9,13H,5-6,10H2,(H,21,22)
InChIKeyLWBCTLDQVWPOFD-UHFFFAOYSA-N
XLogP3.76
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-(3-fluorophenyl)acetamide
CID 86955213
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7332974
2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide
CID 86957312
2-fluoro-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)benzonitrile
CID 63476587
N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163570
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955757
2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
CID 62317173
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
CID 66427683

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 86955794) is N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide is N#Cc1cc(NC(=O)CC2CCc3ccccc32)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is LWBCTLDQVWPOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-17-8-7-15(9-14(17)11-20)21-18(22)10-13-6-5-12-3-1-2-4-16(12)13/h1-4,7-9,13H,5-6,10H2,(H,21,22).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 294.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 86955794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).