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

C12H17FN2O — CID 60927923

IUPAC3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
SMILESCC(N)CC(=O)NC(C)c1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-8(14)7-12(16)15-9(2)10-5-3-4-6-11(10)13/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKeyOYQGWXRKTGJRER-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.74
Rot. Bonds4

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

3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide (PubChem CID 60927923) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
PubChem CID60927923
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
SMILESCC(N)CC(=O)NC(C)c1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-8(14)7-12(16)15-9(2)10-5-3-4-6-11(10)13/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKeyOYQGWXRKTGJRER-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide
CID 81380522
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81380842
(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
CID 81377311
ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 81380473
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940561
2-(1-aminocyclobutyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 81379814
3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide (CID 60927923) is 3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide is CC(N)CC(=O)NC(C)c1ccccc1F.
What is the InChIKey of 3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide?
The InChIKey is OYQGWXRKTGJRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(14)7-12(16)15-9(2)10-5-3-4-6-11(10)13/h3-6,8-9H,7,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide?
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide has a molecular weight of 224.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 60927923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).