2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid

C17H20Cl2N2O4 — CID 31617015

IUPAC2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NNC(=O)c2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C17H20Cl2N2O4/c18-11-4-5-13(19)12(8-11)16(25)21-20-14(22)9-17(10-15(23)24)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,20,22)(H,21,25)(H,23,24)
InChIKeyGKUYSQRXCYHEHM-UHFFFAOYSA-N
MW387.26 g/mol
LogP3.57
Rot. Bonds5

About 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 31617015) has the molecular formula C17H20Cl2N2O4 and a molecular weight of 387.26 g/mol. Its IUPAC name is 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID31617015
Molecular FormulaC17H20Cl2N2O4
Molecular Weight387.26 g/mol
Exact Mass386.08
IUPAC Name2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NNC(=O)c2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C17H20Cl2N2O4/c18-11-4-5-13(19)12(8-11)16(25)21-20-14(22)9-17(10-15(23)24)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,20,22)(H,21,25)(H,23,24)
InChIKeyGKUYSQRXCYHEHM-UHFFFAOYSA-N
XLogP3.57
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(2,4-dichlorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 63496419
2-[1-[2-(5-chloro-2-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004335
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
2-[1-[2-(2-bromo-5-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 81260207
2-[1-[2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 56807913
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097
2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 61270248
2-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid
CID 51037570
2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 106500317

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid (CID 31617015) is 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NNC(=O)c2cc(Cl)ccc2Cl)CCCCC1.
What is the InChIKey of 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is GKUYSQRXCYHEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O4/c18-11-4-5-13(19)12(8-11)16(25)21-20-14(22)9-17(10-15(23)24)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 387.26 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 31617015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).