3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide

C10H11F3N2O2 — CID 114145085

IUPAC3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
SMILESCOC(CN)C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H11F3N2O2/c1-17-8(4-14)10(16)15-5-2-6(11)9(13)7(12)3-5/h2-3,8H,4,14H2,1H3,(H,15,16)
InChIKeyMMCIUDIFARHEMS-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.02
Rot. Bonds4

About 3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide

3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide (PubChem CID 114145085) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
PubChem CID114145085
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
SMILESCOC(CN)C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H11F3N2O2/c1-17-8(4-14)10(16)15-5-2-6(11)9(13)7(12)3-5/h2-3,8H,4,14H2,1H3,(H,15,16)
InChIKeyMMCIUDIFARHEMS-UHFFFAOYSA-N
XLogP1.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 106111011
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
CID 114145118
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
CID 106113513
3-amino-N-(4-bromo-2,5-difluorophenyl)-2-methoxypropanamide
CID 106114183
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methoxypropanamide
CID 114145180
3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
4-[(3-amino-2-methoxypropanoyl)amino]benzamide
CID 106111050
N-(3-acetylphenyl)-3-amino-2-methoxypropanamide
CID 106112568
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide
CID 167797572

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide (CID 114145085) is 3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide is COC(CN)C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide?
The InChIKey is MMCIUDIFARHEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-17-8(4-14)10(16)15-5-2-6(11)9(13)7(12)3-5/h2-3,8H,4,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide?
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide has a molecular weight of 248.20 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide is sourced from PubChem (CID 114145085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).