N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide

C11H15ClN2O2 — CID 39347226

IUPACN-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide
SMILESCC(C)(CON)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-11(2,7-16-13)14-10(15)8-4-3-5-9(12)6-8/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyUQJDKFKODUDLGF-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.74
Rot. Bonds4

About N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide

N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide (PubChem CID 39347226) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide
PubChem CID39347226
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide
SMILESCC(C)(CON)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-11(2,7-16-13)14-10(15)8-4-3-5-9(12)6-8/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyUQJDKFKODUDLGF-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-propan-2-ylbenzamide
CID 669184
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide
CID 119521607
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
CID 114383601
N'-tert-butyl-3-chlorobenzohydrazide
CID 15617772
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 113470453
3-chlorobenzohydrazide;bis(formonitrile)
CID 175536479
ethyl 2-(3-chloroanilino)-2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
CID 2802328
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-chlorobenzoate
CID 9014463
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741

Frequently Asked Questions

What is the IUPAC name of N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide?
The IUPAC name of N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide (CID 39347226) is N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide?
The canonical SMILES for N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide is CC(C)(CON)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide?
The InChIKey is UQJDKFKODUDLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-11(2,7-16-13)14-10(15)8-4-3-5-9(12)6-8/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide?
N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide has a molecular weight of 242.71 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide is sourced from PubChem (CID 39347226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).