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

C14H20FN3O3 — CID 71450469

IUPAC(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NO
InChIInChI=1S/C14H20FN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-3-5-11(15)6-4-10/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
InChIKeyJYQPTCATJPOGGL-LBPRGKRZSA-N
MW297.33 g/mol
LogP1.54
Rot. Bonds6

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

(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 71450469) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
PubChem CID71450469
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NO
InChIInChI=1S/C14H20FN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-3-5-11(15)6-4-10/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
InChIKeyJYQPTCATJPOGGL-LBPRGKRZSA-N
XLogP1.54
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.54
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

N-(Benzylcarbamoyl)-leucyl-methylazaalanine-nitrile
CID 50994058
5-(4-Fluorophenyl)imidazolidine-2,4-dione
CID 265439
(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584672
(2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584675
(2S)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 127040559
(2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 127042772
(S)-2-[3-(4-Fluoro-benzyl)-ureido]-3-methyl-butyric acid
CID 938687
N-cyclopentyl-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4204383
N-cyclopentyl-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4205522
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 16283470
(S)-2-[3-(4-Fluoro-benzyl)-ureido]-3-methyl-pentanoic acid
CID 16682252
(2s,3r)-n1-hydroxy-2-methyl-n4-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-3-(2-methylpropyl)butanediamide
CID 9928325

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide (CID 71450469) is (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NO.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is JYQPTCATJPOGGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-3-5-11(15)6-4-10/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide has a molecular weight of 297.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 71450469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).