N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide

C14H16FNO — CID 94198795

IUPACN-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CCc2cc(F)ccc21)C1CCC1
InChIInChI=1S/C14H16FNO/c15-11-5-6-12-10(8-11)4-7-13(12)16-14(17)9-2-1-3-9/h5-6,8-9,13H,1-4,7H2,(H,16,17)/t13-/m0/s1
InChIKeyOTLRTRYFGMDLOZ-ZDUSSCGKSA-N
MW233.29 g/mol
LogP2.73
Rot. Bonds2

About N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide

N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide (PubChem CID 94198795) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
PubChem CID94198795
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CCc2cc(F)ccc21)C1CCC1
InChIInChI=1S/C14H16FNO/c15-11-5-6-12-10(8-11)4-7-13(12)16-14(17)9-2-1-3-9/h5-6,8-9,13H,1-4,7H2,(H,16,17)/t13-/m0/s1
InChIKeyOTLRTRYFGMDLOZ-ZDUSSCGKSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119301428
(3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94646783
(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
CID 94818124
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide
CID 94660919
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122065402
(2R)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-6-oxopiperidine-2-carboxamide
CID 146129673
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438432
4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673094
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide (CID 94198795) is N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide is O=C(N[C@H]1CCc2cc(F)ccc21)C1CCC1.
What is the InChIKey of N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide?
The InChIKey is OTLRTRYFGMDLOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16FNO/c15-11-5-6-12-10(8-11)4-7-13(12)16-14(17)9-2-1-3-9/h5-6,8-9,13H,1-4,7H2,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide?
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide has a molecular weight of 233.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide is sourced from PubChem (CID 94198795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).