N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide

C12H15Br2N3O2 — CID 114292758

IUPACN-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
SMILESCCC(C)(C(=O)Nc1cc(Br)ccc1Br)/C(N)=N/O
InChIInChI=1S/C12H15Br2N3O2/c1-3-12(2,10(15)17-19)11(18)16-9-6-7(13)4-5-8(9)14/h4-6,19H,3H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyBYOWVAKWYFKBQI-UHFFFAOYSA-N
MW393.08 g/mol
LogP3.31
Rot. Bonds4

About N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide

N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide (PubChem CID 114292758) has the molecular formula C12H15Br2N3O2 and a molecular weight of 393.08 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
PubChem CID114292758
Molecular FormulaC12H15Br2N3O2
Molecular Weight393.08 g/mol
Exact Mass390.95
IUPAC NameN-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
SMILESCCC(C)(C(=O)Nc1cc(Br)ccc1Br)/C(N)=N/O
InChIInChI=1S/C12H15Br2N3O2/c1-3-12(2,10(15)17-19)11(18)16-9-6-7(13)4-5-8(9)14/h4-6,19H,3H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyBYOWVAKWYFKBQI-UHFFFAOYSA-N
XLogP3.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 53.31
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'}

Analyze N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide 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

2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide
CID 114291248
(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 82767181
N-(2-chlorophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 113270737
N-(4-bromo-2-fluorophenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920553
N-(3,5-difluorophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 114292587
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 114292506
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanoyl]amino]benzamide
CID 107811794
N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
CID 82706728
N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 114253835
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide
CID 82757220
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylpropanamide
CID 82704318

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide?
The IUPAC name of N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide (CID 114292758) is N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide?
The canonical SMILES for N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide is CCC(C)(C(=O)Nc1cc(Br)ccc1Br)/C(N)=N/O.
What is the InChIKey of N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide?
The InChIKey is BYOWVAKWYFKBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3O2/c1-3-12(2,10(15)17-19)11(18)16-9-6-7(13)4-5-8(9)14/h4-6,19H,3H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide?
N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide has a molecular weight of 393.08 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide is sourced from PubChem (CID 114292758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).