N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide

C12H14F3NO3 — CID 59568873

IUPACN-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide
SMILESCOC(CCC(=O)NO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-19-10(6-7-11(17)16-18)8-2-4-9(5-3-8)12(13,14)15/h2-5,10,18H,6-7H2,1H3,(H,16,17)
InChIKeyHHWMNFXDKPNHTA-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.68
Rot. Bonds5

About N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide

N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 59568873) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID59568873
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide
SMILESCOC(CCC(=O)NO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-19-10(6-7-11(17)16-18)8-2-4-9(5-3-8)12(13,14)15/h2-5,10,18H,6-7H2,1H3,(H,16,17)
InChIKeyHHWMNFXDKPNHTA-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 52945792
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CID 54584001
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CID 72707669
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CID 134917967
CID 134917967
CID 11118838
CID 11118838
CID 57495771
CID 57495771
CID 9820571
CID 9820571
CID 11231178
CID 11231178
CID 17783819
CID 17783819
CID 54055046
CID 54055046
CID 54530535
CID 54530535
CID 59568769
CID 59568769

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide (CID 59568873) is N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide is COC(CCC(=O)NO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is HHWMNFXDKPNHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-19-10(6-7-11(17)16-18)8-2-4-9(5-3-8)12(13,14)15/h2-5,10,18H,6-7H2,1H3,(H,16,17).
What are the key properties of N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide?
N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 277.24 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 59568873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).