(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide

C13H18FN3O3 — CID 71462987

IUPAC(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)NO
InChIInChI=1S/C13H18FN3O3/c1-8(2)7-11(12(18)17-20)16-13(19)15-10-5-3-9(14)4-6-10/h3-6,8,11,20H,7H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChIKeyVAQKTYSRYKOURE-NSHDSACASA-N
MW283.30 g/mol
LogP1.87
Rot. Bonds5

About (2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide

(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 71462987) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
PubChem CID71462987
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)NO
InChIInChI=1S/C13H18FN3O3/c1-8(2)7-11(12(18)17-20)16-13(19)15-10-5-3-9(14)4-6-10/h3-6,8,11,20H,7H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChIKeyVAQKTYSRYKOURE-NSHDSACASA-N
XLogP1.87
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.87
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide (CID 71462987) is (2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)NO.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is VAQKTYSRYKOURE-NSHDSACASA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-8(2)7-11(12(18)17-20)16-13(19)15-10-5-3-9(14)4-6-10/h3-6,8,11,20H,7H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide has a molecular weight of 283.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 71462987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).