2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide

C12H18FN3O — CID 103250419

IUPAC2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
SMILESCC(Cc1ccc(F)cc1)NCC(N)C(N)=O
InChIInChI=1S/C12H18FN3O/c1-8(16-7-11(14)12(15)17)6-9-2-4-10(13)5-3-9/h2-5,8,11,16H,6-7,14H2,1H3,(H2,15,17)
InChIKeyAEZLOWIOVQBSCH-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.16
Rot. Bonds6

About 2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide

2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide (PubChem CID 103250419) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
PubChem CID103250419
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
SMILESCC(Cc1ccc(F)cc1)NCC(N)C(N)=O
InChIInChI=1S/C12H18FN3O/c1-8(16-7-11(14)12(15)17)6-9-2-4-10(13)5-3-9/h2-5,8,11,16H,6-7,14H2,1H3,(H2,15,17)
InChIKeyAEZLOWIOVQBSCH-UHFFFAOYSA-N
XLogP0.16
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
CID 55141490
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
3-amino-4-[1-(4-fluorophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64894788
2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
CID 106235256
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide
CID 106170771
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
methyl (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoate;hydrochloride
CID 66719586
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 76981965

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide?
The IUPAC name of 2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide (CID 103250419) is 2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide.
What is the SMILES notation for 2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide?
The canonical SMILES for 2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide is CC(Cc1ccc(F)cc1)NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide?
The InChIKey is AEZLOWIOVQBSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8(16-7-11(14)12(15)17)6-9-2-4-10(13)5-3-9/h2-5,8,11,16H,6-7,14H2,1H3,(H2,15,17).
What are the key properties of 2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide?
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide has a molecular weight of 239.29 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide is sourced from PubChem (CID 103250419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).