N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide

C17H22FNO2 — CID 69201550

IUPACN-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide
SMILESC=CCOc1cc2c(cc1F)CC[C@H]2CCNC(=O)CC
InChIInChI=1S/C17H22FNO2/c1-3-9-21-16-11-14-12(7-8-19-17(20)4-2)5-6-13(14)10-15(16)18/h3,10-12H,1,4-9H2,2H3,(H,19,20)/t12-/m0/s1
InChIKeyMXVLNMPMZFZYJR-LBPRGKRZSA-N
MW291.37 g/mol
LogP3.34
Rot. Bonds7

About N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide

N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide (PubChem CID 69201550) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide
PubChem CID69201550
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC NameN-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide
SMILESC=CCOc1cc2c(cc1F)CC[C@H]2CCNC(=O)CC
InChIInChI=1S/C17H22FNO2/c1-3-9-21-16-11-14-12(7-8-19-17(20)4-2)5-6-13(14)10-15(16)18/h3,10-12H,1,4-9H2,2H3,(H,19,20)/t12-/m0/s1
InChIKeyMXVLNMPMZFZYJR-LBPRGKRZSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
CID 143796011
N-[2-(6-propoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
CID 10912753
N-[2-(5-fluoro-3,7,8,9-tetrahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide
CID 22004805
N-[2-(1,5-dibromo-6-prop-2-enoxy-2,3-dihydroinden-1-yl)ethyl]propanamide
CID 142703429
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
CID 22922665
methyl 3-[2-(butanoylamino)ethyl]-2,3-dihydro-1H-indene-5-carboxylate
CID 22922688
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
1,2,4-trifluoro-5-prop-2-enoxybenzene
CID 130724512
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide
CID 110636025
N-[2-[(1S)-5-bromo-6-hydroxy-7-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide
CID 11068249
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-fluoro-3-propanoylbenzamide
CID 166367608

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide?
The IUPAC name of N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide (CID 69201550) is N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide is C=CCOc1cc2c(cc1F)CC[C@H]2CCNC(=O)CC.
What is the InChIKey of N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide?
The InChIKey is MXVLNMPMZFZYJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-3-9-21-16-11-14-12(7-8-19-17(20)4-2)5-6-13(14)10-15(16)18/h3,10-12H,1,4-9H2,2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide?
N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide has a molecular weight of 291.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-5-fluoro-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide is sourced from PubChem (CID 69201550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).