4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide

C11H13F3N2O3 — CID 171899827

IUPAC4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)6-2-1-5(3-7(6)15)10(19)8(17)4-9(16)18/h1-3,8,10,17,19H,4,15H2,(H2,16,18)
InChIKeyVFIXXZZUWMLESA-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.56
Rot. Bonds4

About 4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide

4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide (PubChem CID 171899827) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
PubChem CID171899827
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)6-2-1-5(3-7(6)15)10(19)8(17)4-9(16)18/h1-3,8,10,17,19H,4,15H2,(H2,16,18)
InChIKeyVFIXXZZUWMLESA-UHFFFAOYSA-N
XLogP0.56
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-formyl-3-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900047
S-[3-[3-amino-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl] ethanethioate
CID 170822587
1-[3-amino-4-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858594
4-[4-amino-3-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878324
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-3-(trifluoromethyl)benzoic acid
CID 171900114
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 171899706
3-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-fluorobenzoic acid
CID 171899448
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
diethyl 2-[3-amino-4-(trifluoromethyl)phenyl]propanedioate
CID 121265745

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide?
The IUPAC name of 4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide (CID 171899827) is 4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide?
The canonical SMILES for 4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccc(C(F)(F)F)c(N)c1.
What is the InChIKey of 4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide?
The InChIKey is VFIXXZZUWMLESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)6-2-1-5(3-7(6)15)10(19)8(17)4-9(16)18/h1-3,8,10,17,19H,4,15H2,(H2,16,18).
What are the key properties of 4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide?
4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide has a molecular weight of 278.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).