3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide

C10H10BrClFN3O2 — CID 107615200

IUPAC3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)Nc1c(Cl)cc(F)cc1Br)C(N)=NO
InChIInChI=1S/C10H10BrClFN3O2/c1-4(9(14)16-18)10(17)15-8-6(11)2-5(13)3-7(8)12/h2-4,18H,1H3,(H2,14,16)(H,15,17)
InChIKeyYBLMXDODJFYUPR-UHFFFAOYSA-N
MW338.56 g/mol
LogP2.56
Rot. Bonds3

About 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 107615200) has the molecular formula C10H10BrClFN3O2 and a molecular weight of 338.56 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID107615200
Molecular FormulaC10H10BrClFN3O2
Molecular Weight338.56 g/mol
Exact Mass336.96
IUPAC Name3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)Nc1c(Cl)cc(F)cc1Br)C(N)=NO
InChIInChI=1S/C10H10BrClFN3O2/c1-4(9(14)16-18)10(17)15-8-6(11)2-5(13)3-7(8)12/h2-4,18H,1H3,(H2,14,16)(H,15,17)
InChIKeyYBLMXDODJFYUPR-UHFFFAOYSA-N
XLogP2.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 52.56
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

(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107612455
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
N-(2-bromo-6-chloro-4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 107615208
(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 81274652
(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide
CID 107611897
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 83088109
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
4-amino-5-(2-bromo-6-chloro-4-fluoroanilino)-5-oxopentanoic acid
CID 107611890
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635
2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 107614486

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide (CID 107615200) is 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide is CC(C(=O)Nc1c(Cl)cc(F)cc1Br)C(N)=NO.
What is the InChIKey of 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is YBLMXDODJFYUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN3O2/c1-4(9(14)16-18)10(17)15-8-6(11)2-5(13)3-7(8)12/h2-4,18H,1H3,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 338.56 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 107615200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).