4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide

C10H11ClN2O3 — CID 60701327

IUPAC4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
SMILESCONC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c1-16-13-9(14)6-12-10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyLCCNMQVCLLJBOI-UHFFFAOYSA-N
MW242.66 g/mol
LogP0.75
Rot. Bonds4

About 4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide

4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide (PubChem CID 60701327) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
PubChem CID60701327
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
SMILESCONC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c1-16-13-9(14)6-12-10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyLCCNMQVCLLJBOI-UHFFFAOYSA-N
XLogP0.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 50.75
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

4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
CID 60634738
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031853
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
methyl 4-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxybenzoate
CID 108767112
2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7038818

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide (CID 60701327) is 4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide is CONC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide?
The InChIKey is LCCNMQVCLLJBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-16-13-9(14)6-12-10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide?
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide has a molecular weight of 242.66 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 60701327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).