2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid

C11H11ClN2O5 — CID 60676595

IUPAC2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid
SMILESCC(=O)NNC(=O)COc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H11ClN2O5/c1-6(15)13-14-10(16)5-19-9-3-2-7(12)4-8(9)11(17)18/h2-4H,5H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyYGVRYYBVXOJZNZ-UHFFFAOYSA-N
MW286.67 g/mol
LogP0.58
Rot. Bonds4

About 2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid

2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid (PubChem CID 60676595) has the molecular formula C11H11ClN2O5 and a molecular weight of 286.67 g/mol. Its IUPAC name is 2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid
PubChem CID60676595
Molecular FormulaC11H11ClN2O5
Molecular Weight286.67 g/mol
Exact Mass286.04
IUPAC Name2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid
SMILESCC(=O)NNC(=O)COc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H11ClN2O5/c1-6(15)13-14-10(16)5-19-9-3-2-7(12)4-8(9)11(17)18/h2-4H,5H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyYGVRYYBVXOJZNZ-UHFFFAOYSA-N
XLogP0.58
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-bromobenzoic acid
CID 103604048
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
5-chloro-2-[2-(3,5-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 45417864
5-chloro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 43216932
2-(2-acetamidoethoxy)-5-chlorobenzoic acid
CID 60676519
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
2-(3-acetamidopropoxy)-5-chlorobenzoic acid
CID 67057090
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 61379377
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
5-chloro-2-ethoxybenzoic acid;tungsten
CID 58176486
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid?
The IUPAC name of 2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid (CID 60676595) is 2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid.
What is the SMILES notation for 2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid?
The canonical SMILES for 2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid is CC(=O)NNC(=O)COc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid?
The InChIKey is YGVRYYBVXOJZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O5/c1-6(15)13-14-10(16)5-19-9-3-2-7(12)4-8(9)11(17)18/h2-4H,5H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid?
2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid has a molecular weight of 286.67 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid is sourced from PubChem (CID 60676595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).