3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide

C20H17FN2O2 — CID 166367696

IUPAC3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide
SMILESC#CC(NC(=O)c1cc(C(N)=O)ccc1F)C1CCc2ccccc21
InChIInChI=1S/C20H17FN2O2/c1-2-18(15-9-7-12-5-3-4-6-14(12)15)23-20(25)16-11-13(19(22)24)8-10-17(16)21/h1,3-6,8,10-11,15,18H,7,9H2,(H2,22,24)(H,23,25)
InChIKeyFSBSCSHQQBOEDV-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.39
Rot. Bonds4

About 3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide

3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide (PubChem CID 166367696) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide
PubChem CID166367696
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide
SMILESC#CC(NC(=O)c1cc(C(N)=O)ccc1F)C1CCc2ccccc21
InChIInChI=1S/C20H17FN2O2/c1-2-18(15-9-7-12-5-3-4-6-14(12)15)23-20(25)16-11-13(19(22)24)8-10-17(16)21/h1,3-6,8,10-11,15,18H,7,9H2,(H2,22,24)(H,23,25)
InChIKeyFSBSCSHQQBOEDV-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
CID 43652118
3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166285299
1-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 167789497
3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166285602
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide
CID 166367608
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide
CID 166367622
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide
CID 166285297
(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65405327
(5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate
CID 167790119
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166285453

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide (CID 166367696) is 3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide is C#CC(NC(=O)c1cc(C(N)=O)ccc1F)C1CCc2ccccc21.
What is the InChIKey of 3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide?
The InChIKey is FSBSCSHQQBOEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-2-18(15-9-7-12-5-3-4-6-14(12)15)23-20(25)16-11-13(19(22)24)8-10-17(16)21/h1,3-6,8,10-11,15,18H,7,9H2,(H2,22,24)(H,23,25).
What are the key properties of 3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide?
3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide has a molecular weight of 336.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2,3-dihydro-1H-inden-1-yl)prop-2-ynyl]-4-fluorobenzene-1,3-dicarboxamide is sourced from PubChem (CID 166367696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).