2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide

C20H22FNO — CID 86955855

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide
SMILESO=C(CC1CCc2ccccc21)NCCCc1cccc(F)c1
InChIInChI=1S/C20H22FNO/c21-18-8-3-5-15(13-18)6-4-12-22-20(23)14-17-11-10-16-7-1-2-9-19(16)17/h1-3,5,7-9,13,17H,4,6,10-12,14H2,(H,22,23)
InChIKeyMDCVSCKVEHGUCX-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.99
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide (PubChem CID 86955855) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide
PubChem CID86955855
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide
SMILESO=C(CC1CCc2ccccc21)NCCCc1cccc(F)c1
InChIInChI=1S/C20H22FNO/c21-18-8-3-5-15(13-18)6-4-12-22-20(23)14-17-11-10-16-7-1-2-9-19(16)17/h1-3,5,7-9,13,17H,4,6,10-12,14H2,(H,22,23)
InChIKeyMDCVSCKVEHGUCX-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-(3-fluorophenyl)acetamide
CID 86955213
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955231
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
2-(2,3-dihydro-1H-inden-1-yl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955821
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 86957177
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
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide
CID 86957312
3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 97109671

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide (CID 86955855) is 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide is O=C(CC1CCc2ccccc21)NCCCc1cccc(F)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide?
The InChIKey is MDCVSCKVEHGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c21-18-8-3-5-15(13-18)6-4-12-22-20(23)14-17-11-10-16-7-1-2-9-19(16)17/h1-3,5,7-9,13,17H,4,6,10-12,14H2,(H,22,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide has a molecular weight of 311.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 86955855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).