(2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide

C13H17F2N3O3 — CID 127039202

IUPAC(2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1c(F)cccc1F)C(=O)NO
InChIInChI=1S/C13H17F2N3O3/c1-7(2)6-10(12(19)18-21)16-13(20)17-11-8(14)4-3-5-9(11)15/h3-5,7,10,21H,6H2,1-2H3,(H,18,19)(H2,16,17,20)/t10-/m0/s1
InChIKeyKRVHVJXEUOXCTL-JTQLQIEISA-N
MW301.29 g/mol
LogP2.01
Rot. Bonds5

About (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide

(2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 127039202) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
PubChem CID127039202
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name(2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1c(F)cccc1F)C(=O)NO
InChIInChI=1S/C13H17F2N3O3/c1-7(2)6-10(12(19)18-21)16-13(20)17-11-8(14)4-3-5-9(11)15/h3-5,7,10,21H,6H2,1-2H3,(H,18,19)(H2,16,17,20)/t10-/m0/s1
InChIKeyKRVHVJXEUOXCTL-JTQLQIEISA-N
XLogP2.01
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.01
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-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide (CID 127039202) is (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](NC(=O)Nc1c(F)cccc1F)C(=O)NO.
What is the InChIKey of (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is KRVHVJXEUOXCTL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17F2N3O3/c1-7(2)6-10(12(19)18-21)16-13(20)17-11-8(14)4-3-5-9(11)15/h3-5,7,10,21H,6H2,1-2H3,(H,18,19)(H2,16,17,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
(2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide has a molecular weight of 301.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,6-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 127039202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).