benzamido 2-chloroacetate

C9H8ClNO3 — CID 172559577

IUPACbenzamido 2-chloroacetate
SMILESO=C(CCl)ONC(=O)c1ccccc1
InChIInChI=1S/C9H8ClNO3/c10-6-8(12)14-11-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)
InChIKeyIMEXBWHTTGLVJG-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.11
Rot. Bonds2

About benzamido 2-chloroacetate

benzamido 2-chloroacetate (PubChem CID 172559577) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is benzamido 2-chloroacetate.

Molecular Properties

Compound Namebenzamido 2-chloroacetate
PubChem CID172559577
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Namebenzamido 2-chloroacetate
SMILESO=C(CCl)ONC(=O)c1ccccc1
InChIInChI=1S/C9H8ClNO3/c10-6-8(12)14-11-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)
InChIKeyIMEXBWHTTGLVJG-UHFFFAOYSA-N
XLogP1.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzamido acetate;ethane
CID 91379738
benzamido 3-benzyliminobutanoate
CID 7457656
benzamido 2-amino-3,3-dimethylbutanoate
CID 57023501
benzohydrazide;molybdenum
CID 162076561
benzamido N-(4-chlorophenyl)carbamate
CID 134110176
(carbamothioylamino) 2-benzamidoacetate
CID 174948338
1-phenylethenyl 2-chloroacetate
CID 13032777
benzyl 2-chloroacetate
CID 8786
benzamido 2-methylbenzoate
CID 5260358
benzamido 2-methyl-2-phenylpropanoate
CID 174594755
[[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate
CID 576626
N-(2-fluoroethoxy)benzamide
CID 142724963

Frequently Asked Questions

What is the IUPAC name of benzamido 2-chloroacetate?
The IUPAC name of benzamido 2-chloroacetate (CID 172559577) is benzamido 2-chloroacetate.
What is the SMILES notation for benzamido 2-chloroacetate?
The canonical SMILES for benzamido 2-chloroacetate is O=C(CCl)ONC(=O)c1ccccc1.
What is the InChIKey of benzamido 2-chloroacetate?
The InChIKey is IMEXBWHTTGLVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-6-8(12)14-11-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13).
What are the key properties of benzamido 2-chloroacetate?
benzamido 2-chloroacetate has a molecular weight of 213.62 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido 2-chloroacetate is sourced from PubChem (CID 172559577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).