4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide

C12H17FN2O — CID 81350119

IUPAC4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
SMILESC[C@H](NC(=O)CCCN)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-9(15-12(16)3-2-8-14)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyUPFPFFHHULBBNO-VIFPVBQESA-N
MW224.28 g/mol
LogP1.74
Rot. Bonds5

About 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide

4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide (PubChem CID 81350119) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
PubChem CID81350119
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
SMILESC[C@H](NC(=O)CCCN)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-9(15-12(16)3-2-8-14)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyUPFPFFHHULBBNO-VIFPVBQESA-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

Analyze 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide (CID 81350119) is 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide is C[C@H](NC(=O)CCCN)c1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is UPFPFFHHULBBNO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(15-12(16)3-2-8-14)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8,14H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide?
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]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 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 81350119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).