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

C13H17F2N3O3 — CID 127037876

IUPAC(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1ccc(F)cc1F)C(=O)NO
InChIInChI=1S/C13H17F2N3O3/c1-7(2)5-11(12(19)18-21)17-13(20)16-10-4-3-8(14)6-9(10)15/h3-4,6-7,11,21H,5H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-/m0/s1
InChIKeyNVIUWXLGDPUJQC-NSHDSACASA-N
MW301.29 g/mol
LogP2.01
Rot. Bonds5

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

(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 127037876) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
PubChem CID127037876
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1ccc(F)cc1F)C(=O)NO
InChIInChI=1S/C13H17F2N3O3/c1-7(2)5-11(12(19)18-21)17-13(20)16-10-4-3-8(14)6-9(10)15/h3-4,6-7,11,21H,5H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-/m0/s1
InChIKeyNVIUWXLGDPUJQC-NSHDSACASA-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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Related Compounds

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N-(Phenylcarbamoyl)-leucyl-methylazaalanine-nitrile
CID 50994057
(R)-2-[3-(2-Fluoro-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester
CID 946613
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CID 2524258
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CID 16290888
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CID 52941619
N-((2R,4S)-2-butyl-5-methyl-3-oxo-4-(3-phenylureido)hexyl)-N-hydroxyformamide
CID 53321866
1-(2-Oxoazepan-3-yl)-3-phenylurea
CID 2805572
Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-[(4-fluoro-phenyl)-amide]
CID 646179
N-[(2-fluorophenyl)carbamoyl]-L-valine
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide (CID 127037876) is (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](NC(=O)Nc1ccc(F)cc1F)C(=O)NO.
What is the InChIKey of (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is NVIUWXLGDPUJQC-NSHDSACASA-N. The full InChI is InChI=1S/C13H17F2N3O3/c1-7(2)5-11(12(19)18-21)17-13(20)16-10-4-3-8(14)6-9(10)15/h3-4,6-7,11,21H,5H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
(2S)-2-[(2,4-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-[(2,4-difluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 127037876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).