(2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide

C13H18BrN3O3 — CID 71584554

IUPAC(2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)NO
InChIInChI=1S/C13H18BrN3O3/c1-8(2)6-11(12(18)17-20)16-13(19)15-10-5-3-4-9(14)7-10/h3-5,7-8,11,20H,6H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChIKeyVMXFKZHHUWAWFR-NSHDSACASA-N
MW344.21 g/mol
LogP2.49
Rot. Bonds5

About (2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide

(2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide (PubChem CID 71584554) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is (2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
PubChem CID71584554
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name(2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)NO
InChIInChI=1S/C13H18BrN3O3/c1-8(2)6-11(12(18)17-20)16-13(19)15-10-5-3-4-9(14)7-10/h3-5,7-8,11,20H,6H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChIKeyVMXFKZHHUWAWFR-NSHDSACASA-N
XLogP2.49
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.49
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

((4-Bromophenyl)carbamoyl)-L-leucylglycine
CID 71526099
2-{[(2S)-2-{[(4-bromophenyl)carbamoyl] amino}-4-methylpentanoyl]amino}-2-methylpropanoic acid
CID 71525458
2-(3-bromoanilino)-N-hydroxyacetamide
CID 145950151
diethyl ({[(2S)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methylpentanoyl]amino} methyl)phosphonate
CID 71748303
ethyl hydrogen ({[(2S)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methylpentanoyl]amino} methyl)phosphonate
CID 89846407
(S)-2-[3-(3-Bromo-phenyl)-ureido]-3-methyl-butyric acid
CID 943768
(S)-2-[3-(3-Bromo-phenyl)-ureido]-3-methyl-pentanoic acid methyl ester
CID 12004611
2-(4-Bromo-phenylamino)-4-methyl-pentanoic acid cyanomethyl-amide
CID 22236159
2-(2-Bromo-phenylamino)-4-methyl-pentanoic acid cyanomethyl-amide
CID 44393567
2-(3-Bromo-phenylamino)-4-methyl-pentanoic acid cyanomethyl-amide
CID 44393616
(2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)carbamoylamino]pentanamide
CID 71454094
(2S)-2-[(2-fluorophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71584424

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide (CID 71584554) is (2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)NO.
What is the InChIKey of (2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
The InChIKey is VMXFKZHHUWAWFR-NSHDSACASA-N. The full InChI is InChI=1S/C13H18BrN3O3/c1-8(2)6-11(12(18)17-20)16-13(19)15-10-5-3-4-9(14)7-10/h3-5,7-8,11,20H,6H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide?
(2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide has a molecular weight of 344.21 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 71584554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).