N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide

C12H16FNO — CID 81366054

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
SMILESCCCC(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C12H16FNO/c1-3-5-12(15)14-9(2)10-6-4-7-11(13)8-10/h4,6-9H,3,5H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyLTEXQGXVNNXSID-VIFPVBQESA-N
MW209.26 g/mol
LogP2.80
Rot. Bonds4

About N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide

N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide (PubChem CID 81366054) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
PubChem CID81366054
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
SMILESCCCC(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C12H16FNO/c1-3-5-12(15)14-9(2)10-6-4-7-11(13)8-10/h4,6-9H,3,5H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyLTEXQGXVNNXSID-VIFPVBQESA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 81366180
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520
3-(ethylamino)-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 55121061
3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366317
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 81369898

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide (CID 81366054) is N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide is CCCC(=O)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide?
The InChIKey is LTEXQGXVNNXSID-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-5-12(15)14-9(2)10-6-4-7-11(13)8-10/h4,6-9H,3,5H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide has a molecular weight of 209.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 81366054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).