2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide

C12H17FN2O — CID 81365724

IUPAC2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
SMILESCCC(N[C@H](C)c1cccc(F)c1)C(N)=O
InChIInChI=1S/C12H17FN2O/c1-3-11(12(14)16)15-8(2)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11?/m1/s1
InChIKeyAESXLCUMIYFWIG-RZZZFEHKSA-N
MW224.28 g/mol
LogP1.74
Rot. Bonds5

About 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide

2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide (PubChem CID 81365724) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
PubChem CID81365724
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
SMILESCCC(N[C@H](C)c1cccc(F)c1)C(N)=O
InChIInChI=1S/C12H17FN2O/c1-3-11(12(14)16)15-8(2)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11?/m1/s1
InChIKeyAESXLCUMIYFWIG-RZZZFEHKSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]butanoate
CID 113292653
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
CID 81372858
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
2-(1-phenylethylamino)butanamide
CID 62899453
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pentanoic acid
CID 83041436
2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide
CID 61023640
3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77032783
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606
methyl 3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methylbutanoate
CID 81365512
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide
CID 103106950

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide?
The IUPAC name of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide (CID 81365724) is 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide.
What is the SMILES notation for 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide?
The canonical SMILES for 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide is CCC(N[C@H](C)c1cccc(F)c1)C(N)=O.
What is the InChIKey of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide?
The InChIKey is AESXLCUMIYFWIG-RZZZFEHKSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-11(12(14)16)15-8(2)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11?/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide?
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide has a molecular weight of 224.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide is sourced from PubChem (CID 81365724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).