2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide

C13H17FN2O2 — CID 63039927

IUPAC2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
SMILESNC(=O)C(CCOc1cccc(F)c1)NC1CC1
InChIInChI=1S/C13H17FN2O2/c14-9-2-1-3-11(8-9)18-7-6-12(13(15)17)16-10-4-5-10/h1-3,8,10,12,16H,4-7H2,(H2,15,17)
InChIKeyFVQJBFWZFACJFE-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.20
Rot. Bonds7

About 2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide

2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide (PubChem CID 63039927) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
PubChem CID63039927
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
SMILESNC(=O)C(CCOc1cccc(F)c1)NC1CC1
InChIInChI=1S/C13H17FN2O2/c14-9-2-1-3-11(8-9)18-7-6-12(13(15)17)16-10-4-5-10/h1-3,8,10,12,16H,4-7H2,(H2,15,17)
InChIKeyFVQJBFWZFACJFE-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661
2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide
CID 63038366
2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide
CID 107660548
2-(cyclopropylamino)-4-(4-propan-2-ylphenoxy)butanamide
CID 63038784
methyl 4-(3-fluorophenoxy)-2-(methylamino)butanoate
CID 63040092
2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide
CID 63054343
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093
2-(cyclopropylamino)-4-(2-fluoro-6-nitrophenoxy)butanamide
CID 104832338
4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide
CID 107667971
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 63039991
2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916
N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
CID 29015732

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide (CID 63039927) is 2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide is NC(=O)C(CCOc1cccc(F)c1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide?
The InChIKey is FVQJBFWZFACJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-9-2-1-3-11(8-9)18-7-6-12(13(15)17)16-10-4-5-10/h1-3,8,10,12,16H,4-7H2,(H2,15,17).
What are the key properties of 2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide?
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide has a molecular weight of 252.29 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide is sourced from PubChem (CID 63039927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).