N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide

C12H16ClN3O2 — CID 76988274

IUPACN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)C(N)=NO)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-7-4-5-8(6-9(7)13)10(17)15-12(2,3)11(14)16-18/h4-6,18H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyKFXJAZWKNCTUCJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.90
Rot. Bonds3

About N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide (PubChem CID 76988274) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide
PubChem CID76988274
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)C(N)=NO)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-7-4-5-8(6-9(7)13)10(17)15-12(2,3)11(14)16-18/h4-6,18H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyKFXJAZWKNCTUCJ-UHFFFAOYSA-N
XLogP1.90
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.90
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

3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 103895299
N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide
CID 107672433
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-chloro-4-methylbenzamide
CID 76988296
3-chloro-N-(3-cyanopentan-3-yl)-4-methylbenzamide
CID 55163737
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide
CID 81476900
3-chloro-4-methylbenzamide;ethane
CID 162191867
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-4-chloro-3-fluorobenzamide
CID 107992396
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333029
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide
CID 63213686
3-chloro-N-cyano-4-methylbenzamide
CID 79194482

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide (CID 76988274) is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)NC(C)(C)C(N)=NO)cc1Cl.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide?
The InChIKey is KFXJAZWKNCTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-7-4-5-8(6-9(7)13)10(17)15-12(2,3)11(14)16-18/h4-6,18H,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide?
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide has a molecular weight of 269.73 g/mol, XLogP of 1.90, 3 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-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide is sourced from PubChem (CID 76988274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).