N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide

C15H18FNO2 — CID 54451479

IUPACN-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1=CCc2cc(F)c(OC)cc21
InChIInChI=1S/C15H18FNO2/c1-3-15(18)17-7-6-10-4-5-11-8-13(16)14(19-2)9-12(10)11/h4,8-9H,3,5-7H2,1-2H3,(H,17,18)
InChIKeyWVHDQMQZTUEDNE-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide

N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide (PubChem CID 54451479) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide
PubChem CID54451479
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1=CCc2cc(F)c(OC)cc21
InChIInChI=1S/C15H18FNO2/c1-3-15(18)17-7-6-10-4-5-11-8-13(16)14(19-2)9-12(10)11/h4,8-9H,3,5-7H2,1-2H3,(H,17,18)
InChIKeyWVHDQMQZTUEDNE-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
1-amino-3-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]urea
CID 115192963
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 67550146
3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
CID 116843529
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163429
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158297

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide (CID 54451479) is N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide is CCC(=O)NCCC1=CCc2cc(F)c(OC)cc21.
What is the InChIKey of N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide?
The InChIKey is WVHDQMQZTUEDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-15(18)17-7-6-10-4-5-11-8-13(16)14(19-2)9-12(10)11/h4,8-9H,3,5-7H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide?
N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide has a molecular weight of 263.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide is sourced from PubChem (CID 54451479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).