N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide

C15H20FNO — CID 51983037

IUPACN-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide
SMILESC[C@H](C1CC1)N(C)C(=O)CCc1cccc(F)c1
InChIInChI=1S/C15H20FNO/c1-11(13-7-8-13)17(2)15(18)9-6-12-4-3-5-14(16)10-12/h3-5,10-11,13H,6-9H2,1-2H3/t11-/m1/s1
InChIKeyFLFGOQLJMVNATK-LLVKDONJSA-N
MW249.33 g/mol
LogP3.02
Rot. Bonds5

About N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide

N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide (PubChem CID 51983037) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide
PubChem CID51983037
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide
SMILESC[C@H](C1CC1)N(C)C(=O)CCc1cccc(F)c1
InChIInChI=1S/C15H20FNO/c1-11(13-7-8-13)17(2)15(18)9-6-12-4-3-5-14(16)10-12/h3-5,10-11,13H,6-9H2,1-2H3/t11-/m1/s1
InChIKeyFLFGOQLJMVNATK-LLVKDONJSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 135090394
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 115272705
N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide
CID 60615360
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171948236
3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide
CID 78829539
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
3-(3-fluorophenyl)-1-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 96576957
N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide
CID 47023720
N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide
CID 86876241

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide (CID 51983037) is N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide is C[C@H](C1CC1)N(C)C(=O)CCc1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide?
The InChIKey is FLFGOQLJMVNATK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11(13-7-8-13)17(2)15(18)9-6-12-4-3-5-14(16)10-12/h3-5,10-11,13H,6-9H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide?
N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide has a molecular weight of 249.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 51983037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).