N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide

C15H20FNO3 — CID 110669263

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)NCCC1OCCCO1
InChIInChI=1S/C15H20FNO3/c16-13-4-1-3-12(11-13)5-6-14(18)17-8-7-15-19-9-2-10-20-15/h1,3-4,11,15H,2,5-10H2,(H,17,18)
InChIKeyINPPCAGRVYLTOZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.03
Rot. Bonds6

About N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide

N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide (PubChem CID 110669263) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
PubChem CID110669263
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)NCCC1OCCCO1
InChIInChI=1S/C15H20FNO3/c16-13-4-1-3-12(11-13)5-6-14(18)17-8-7-15-19-9-2-10-20-15/h1,3-4,11,15H,2,5-10H2,(H,17,18)
InChIKeyINPPCAGRVYLTOZ-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(3-fluorophenyl)ethyl]-4-oxobutanamide
CID 18118830
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide
CID 115271381
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-fluorophenyl)propanamide
CID 31948854
N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide
CID 39578480
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110720940
N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110369967
N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide
CID 60615360
3-(3-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110797568
N-[2-(3-fluorophenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26996547
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 38554479

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide (CID 110669263) is N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide is O=C(CCc1cccc(F)c1)NCCC1OCCCO1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide?
The InChIKey is INPPCAGRVYLTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-13-4-1-3-12(11-13)5-6-14(18)17-8-7-15-19-9-2-10-20-15/h1,3-4,11,15H,2,5-10H2,(H,17,18).
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide?
N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide has a molecular weight of 281.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 110669263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).