3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide

C16H21FN2O — CID 166285451

IUPAC3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
SMILESCN(C)C1CC(C(=O)N[C@H]2CCc3c(F)cccc32)C1
InChIInChI=1S/C16H21FN2O/c1-19(2)11-8-10(9-11)16(20)18-15-7-6-12-13(15)4-3-5-14(12)17/h3-5,10-11,15H,6-9H2,1-2H3,(H,18,20)/t10?,11?,15-/m0/s1
InChIKeyNQCSSCHRKIZVAI-NWHVRFAMSA-N
MW276.35 g/mol
LogP2.27
Rot. Bonds3

About 3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide

3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide (PubChem CID 166285451) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
PubChem CID166285451
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
SMILESCN(C)C1CC(C(=O)N[C@H]2CCc3c(F)cccc32)C1
InChIInChI=1S/C16H21FN2O/c1-19(2)11-8-10(9-11)16(20)18-15-7-6-12-13(15)4-3-5-14(12)17/h3-5,10-11,15H,6-9H2,1-2H3,(H,18,20)/t10?,11?,15-/m0/s1
InChIKeyNQCSSCHRKIZVAI-NWHVRFAMSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 86833181
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 119302147
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95771818
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 94198155
N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 103107186
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95934372

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide (CID 166285451) is 3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide is CN(C)C1CC(C(=O)N[C@H]2CCc3c(F)cccc32)C1.
What is the InChIKey of 3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide?
The InChIKey is NQCSSCHRKIZVAI-NWHVRFAMSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-19(2)11-8-10(9-11)16(20)18-15-7-6-12-13(15)4-3-5-14(12)17/h3-5,10-11,15H,6-9H2,1-2H3,(H,18,20)/t10?,11?,15-/m0/s1.
What are the key properties of 3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide?
3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide has a molecular weight of 276.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166285451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).