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

C14H19F2N3O3 — CID 127040557

IUPAC(2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1ccc(F)cc1F)C(=O)NO
InChIInChI=1S/C14H19F2N3O3/c1-8(2)5-12(13(20)19-22)18-14(21)17-7-9-3-4-10(15)6-11(9)16/h3-4,6,8,12,22H,5,7H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m0/s1
InChIKeyIJLRZCJOVWWKMB-LBPRGKRZSA-N
MW315.32 g/mol
LogP1.68
Rot. Bonds6

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

(2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 127040557) has the molecular formula C14H19F2N3O3 and a molecular weight of 315.32 g/mol. Its IUPAC name is (2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
PubChem CID127040557
Molecular FormulaC14H19F2N3O3
Molecular Weight315.32 g/mol
Exact Mass315.14
IUPAC Name(2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1ccc(F)cc1F)C(=O)NO
InChIInChI=1S/C14H19F2N3O3/c1-8(2)5-12(13(20)19-22)18-14(21)17-7-9-3-4-10(15)6-11(9)16/h3-4,6,8,12,22H,5,7H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m0/s1
InChIKeyIJLRZCJOVWWKMB-LBPRGKRZSA-N
XLogP1.68
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.68
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'}

Analyze (2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(Benzylcarbamoyl)-leucyl-methylazaalanine-nitrile
CID 50994058
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
CID 4264496
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}pentanamide
CID 23648299
(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-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
2(S)-(3-Benzyl-ureido)-4-methyl-pentanoic acid hydroxyamide
CID 50913428
[(1R)-1-[[(2S)-2-[(3,4-difluorophenyl)methylcarbamoylamino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 137660514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide (CID 127040557) is (2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](NC(=O)NCc1ccc(F)cc1F)C(=O)NO.
What is the InChIKey of (2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is IJLRZCJOVWWKMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F2N3O3/c1-8(2)5-12(13(20)19-22)18-14(21)17-7-9-3-4-10(15)6-11(9)16/h3-4,6,8,12,22H,5,7H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
(2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide has a molecular weight of 315.32 g/mol, XLogP of 1.68, 6 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)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 127040557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).