N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide

C17H25FN2O2 — CID 133226127

IUPACN-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccccc1F)C(C)C(=O)NC(C)CC
InChIInChI=1S/C17H25FN2O2/c1-5-12(3)19-17(22)13(4)20(16(21)6-2)11-14-9-7-8-10-15(14)18/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,22)
InChIKeyWVOXBWYSAVUXOO-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.87
Rot. Bonds7

About N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide

N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide (PubChem CID 133226127) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
PubChem CID133226127
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccccc1F)C(C)C(=O)NC(C)CC
InChIInChI=1S/C17H25FN2O2/c1-5-12(3)19-17(22)13(4)20(16(21)6-2)11-14-9-7-8-10-15(14)18/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,22)
InChIKeyWVOXBWYSAVUXOO-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100523888
N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 132713849
(2S)-N-[(2S)-butan-2-yl]-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 100575272
(2R)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 100599716
N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
CID 133198788
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 133226070
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chloro-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 125109690
(2S)-2-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 125096879
2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 133226115
N-butan-2-yl-2-[(2-fluorophenyl)methyl-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]propanamide
CID 133225962
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100532383
(2R)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-propanoylamino]propanamide
CID 100566703

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide (CID 133226127) is N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide is CCC(=O)N(Cc1ccccc1F)C(C)C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide?
The InChIKey is WVOXBWYSAVUXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-5-12(3)19-17(22)13(4)20(16(21)6-2)11-14-9-7-8-10-15(14)18/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,22).
What are the key properties of N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide?
N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide is sourced from PubChem (CID 133226127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).