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

C14H20BrN3O3 — CID 71584673

IUPAC(2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1ccccc1Br)C(=O)NO
InChIInChI=1S/C14H20BrN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
InChIKeyYSFQMCLTCSUDDO-LBPRGKRZSA-N
MW358.24 g/mol
LogP2.17
Rot. Bonds6

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

(2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 71584673) has the molecular formula C14H20BrN3O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
PubChem CID71584673
Molecular FormulaC14H20BrN3O3
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC Name(2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1ccccc1Br)C(=O)NO
InChIInChI=1S/C14H20BrN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12,21H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
InChIKeyYSFQMCLTCSUDDO-LBPRGKRZSA-N
XLogP2.17
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 52.17
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

(2S)-2-[(4-bromobenzyl)amino]-N-(cyanomethyl)-4-methylpentanamide
CID 44403029
2(S)-(3-Benzyl-ureido)-4-methyl-pentanoic acid hydroxyamide
CID 50913428
(S)-2-[1-(4-Bromo-phenyl)-ethylamino]-4-methyl-pentanoic acid cyanomethyl-amide
CID 44403032
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71450469
(2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide
CID 71459517
(2S)-2-[(3-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71461261
(2S)-N-hydroxy-4-methyl-2-[(2-methylphenyl)methylcarbamoylamino]pentanamide
CID 71584674
(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide
CID 71584676
(2S)-2-[(3,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 127038892
(2S)-2-[(2,6-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 127038917
(2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 127040557
N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 127041512

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide (CID 71584673) is (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](NC(=O)NCc1ccccc1Br)C(=O)NO.
What is the InChIKey of (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is YSFQMCLTCSUDDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20BrN3O3/c1-9(2)7-12(13(19)18-21)17-14(20)16-8-10-5-3-4-6-11(10)15/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-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide?
(2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide has a molecular weight of 358.24 g/mol, XLogP of 2.17, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 71584673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).