4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide

C11H14F2N2O2 — CID 79891294

IUPAC4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide
SMILESNC(=O)CCCNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C11H14F2N2O2/c12-8-4-7(5-9(13)11(8)17)6-15-3-1-2-10(14)16/h4-5,15,17H,1-3,6H2,(H2,14,16)
InChIKeyZSRGWESQXXKZGS-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.03
Rot. Bonds6

About 4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide

4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide (PubChem CID 79891294) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide
PubChem CID79891294
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide
SMILESNC(=O)CCCNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C11H14F2N2O2/c12-8-4-7(5-9(13)11(8)17)6-15-3-1-2-10(14)16/h4-5,15,17H,1-3,6H2,(H2,14,16)
InChIKeyZSRGWESQXXKZGS-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]propane-1-sulfonamide
CID 79892122
5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
CID 114161742
4-[(3-chloro-5-fluorophenyl)methylamino]butanamide
CID 114452625
2,6-difluoro-4-[(3-methylsulfonylpropylamino)methyl]phenol
CID 79831222
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
2,6-difluoro-4-[(3-methylsulfinylpropylamino)methyl]phenol
CID 113251430
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
ethyl 4-[(3,4,5-trifluorophenyl)methylamino]butanoate
CID 64580460
2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115680060
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
4-[(3-butoxypropylamino)methyl]-2,6-difluorophenol
CID 115680041
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide?
The IUPAC name of 4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide (CID 79891294) is 4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide.
What is the SMILES notation for 4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide?
The canonical SMILES for 4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide is NC(=O)CCCNCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide?
The InChIKey is ZSRGWESQXXKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-8-4-7(5-9(13)11(8)17)6-15-3-1-2-10(14)16/h4-5,15,17H,1-3,6H2,(H2,14,16).
What are the key properties of 4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide?
4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide has a molecular weight of 244.24 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide is sourced from PubChem (CID 79891294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).