2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide

C16H17FN2O2 — CID 116694302

IUPAC2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide
SMILESNC(=O)C(N)(CCOc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c17-13-7-4-8-14(11-13)21-10-9-16(19,15(18)20)12-5-2-1-3-6-12/h1-8,11H,9-10,19H2,(H2,18,20)
InChIKeyYJUUXMXFCIJUBP-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.93
Rot. Bonds6

About 2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide

2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide (PubChem CID 116694302) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide
PubChem CID116694302
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide
SMILESNC(=O)C(N)(CCOc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c17-13-7-4-8-14(11-13)21-10-9-16(19,15(18)20)12-5-2-1-3-6-12/h1-8,11H,9-10,19H2,(H2,18,20)
InChIKeyYJUUXMXFCIJUBP-UHFFFAOYSA-N
XLogP1.93
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
5-(3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 65255314
3-(3-fluorophenoxy)-2,2-dimethylpropanamide
CID 82078068
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916
methyl 3-(3-fluorophenoxy)-2-(tritylamino)propanoate
CID 118862708
2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide
CID 116694375
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
(E)-4-(3-fluorophenoxy)but-2-enoic acid
CID 62342887
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
(E)-N-[2-(3-fluorophenoxy)ethyl]-3-phenylprop-2-enamide
CID 35103917
2-[4-[4-(3-fluorophenoxy)butoxy]phenyl]-2-oxoacetic acid
CID 19004356

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide?
The IUPAC name of 2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide (CID 116694302) is 2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide is NC(=O)C(N)(CCOc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide?
The InChIKey is YJUUXMXFCIJUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-7-4-8-14(11-13)21-10-9-16(19,15(18)20)12-5-2-1-3-6-12/h1-8,11H,9-10,19H2,(H2,18,20).
What are the key properties of 2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide?
2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide has a molecular weight of 288.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide is sourced from PubChem (CID 116694302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).