hydroxycarbamoyl 2-(2-chloroanilino)acetate

C9H9ClN2O4 — CID 175058380

IUPAChydroxycarbamoyl 2-(2-chloroanilino)acetate
SMILESO=C(CNc1ccccc1Cl)OC(=O)NO
InChIInChI=1S/C9H9ClN2O4/c10-6-3-1-2-4-7(6)11-5-8(13)16-9(14)12-15/h1-4,11,15H,5H2,(H,12,14)
InChIKeyAKIBSBWPRWLYJO-UHFFFAOYSA-N
MW244.63 g/mol
LogP1.39
Rot. Bonds3

About hydroxycarbamoyl 2-(2-chloroanilino)acetate

hydroxycarbamoyl 2-(2-chloroanilino)acetate (PubChem CID 175058380) has the molecular formula C9H9ClN2O4 and a molecular weight of 244.63 g/mol. Its IUPAC name is hydroxycarbamoyl 2-(2-chloroanilino)acetate.

Molecular Properties

Compound Namehydroxycarbamoyl 2-(2-chloroanilino)acetate
PubChem CID175058380
Molecular FormulaC9H9ClN2O4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Namehydroxycarbamoyl 2-(2-chloroanilino)acetate
SMILESO=C(CNc1ccccc1Cl)OC(=O)NO
InChIInChI=1S/C9H9ClN2O4/c10-6-3-1-2-4-7(6)11-5-8(13)16-9(14)12-15/h1-4,11,15H,5H2,(H,12,14)
InChIKeyAKIBSBWPRWLYJO-UHFFFAOYSA-N
XLogP1.39
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate
CID 175490190
hydroxycarbamoyl 2-(2-methoxyanilino)acetate
CID 175061449
2-(2-chloroanilino)acetohydrazide;hydrochloride
CID 131089719
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
2-(2-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 9098717
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
tert-butyl 2-(3-chloro-2-methylanilino)acetate
CID 60679121
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide
CID 55365341

Frequently Asked Questions

What is the IUPAC name of hydroxycarbamoyl 2-(2-chloroanilino)acetate?
The IUPAC name of hydroxycarbamoyl 2-(2-chloroanilino)acetate (CID 175058380) is hydroxycarbamoyl 2-(2-chloroanilino)acetate.
What is the SMILES notation for hydroxycarbamoyl 2-(2-chloroanilino)acetate?
The canonical SMILES for hydroxycarbamoyl 2-(2-chloroanilino)acetate is O=C(CNc1ccccc1Cl)OC(=O)NO.
What is the InChIKey of hydroxycarbamoyl 2-(2-chloroanilino)acetate?
The InChIKey is AKIBSBWPRWLYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O4/c10-6-3-1-2-4-7(6)11-5-8(13)16-9(14)12-15/h1-4,11,15H,5H2,(H,12,14).
What are the key properties of hydroxycarbamoyl 2-(2-chloroanilino)acetate?
hydroxycarbamoyl 2-(2-chloroanilino)acetate has a molecular weight of 244.63 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxycarbamoyl 2-(2-chloroanilino)acetate is sourced from PubChem (CID 175058380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).