N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide

C13H17Cl2N3O2 — CID 77039237

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide
SMILESCC(C)C(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=NO
InChIInChI=1S/C13H17Cl2N3O2/c1-7(2)12(13(16)18-20)17-11(19)6-8-3-4-9(14)10(15)5-8/h3-5,7,12,20H,6H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyXXVAIAJRPAADRR-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.42
Rot. Bonds5

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 77039237) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID77039237
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide
SMILESCC(C)C(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=NO
InChIInChI=1S/C13H17Cl2N3O2/c1-7(2)12(13(16)18-20)17-11(19)6-8-3-4-9(14)10(15)5-8/h3-5,7,12,20H,6H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyXXVAIAJRPAADRR-UHFFFAOYSA-N
XLogP2.42
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide
CID 77038382
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide
CID 78773290
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63044929
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172231
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide
CID 107992517
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
2-[[[2-(3,4-dichlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220573
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821775

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide (CID 77039237) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide is CC(C)C(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is XXVAIAJRPAADRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-7(2)12(13(16)18-20)17-11(19)6-8-3-4-9(14)10(15)5-8/h3-5,7,12,20H,6H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 318.20 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 77039237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).