N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide

C23H21Cl2N3O4 — CID 24538219

IUPACN-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H21Cl2N3O4/c24-18-9-10-20(19(25)13-18)32-11-3-6-21(29)27-28-22(30)14-26-23(31)17-8-7-15-4-1-2-5-16(15)12-17/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H,26,31)(H,27,29)(H,28,30)
InChIKeyWRBMULCQLDYYSF-UHFFFAOYSA-N
MW474.34 g/mol
LogP3.88
Rot. Bonds8

About N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide

N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 24538219) has the molecular formula C23H21Cl2N3O4 and a molecular weight of 474.34 g/mol. Its IUPAC name is N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID24538219
Molecular FormulaC23H21Cl2N3O4
Molecular Weight474.34 g/mol
Exact Mass473.09
IUPAC NameN-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H21Cl2N3O4/c24-18-9-10-20(19(25)13-18)32-11-3-6-21(29)27-28-22(30)14-26-23(31)17-8-7-15-4-1-2-5-16(15)12-17/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H,26,31)(H,27,29)(H,28,30)
InChIKeyWRBMULCQLDYYSF-UHFFFAOYSA-N
XLogP3.88
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.34
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide 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

N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 35184424
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355597
4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide
CID 3382871
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4513496
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide (CID 24538219) is N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is WRBMULCQLDYYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O4/c24-18-9-10-20(19(25)13-18)32-11-3-6-21(29)27-28-22(30)14-26-23(31)17-8-7-15-4-1-2-5-16(15)12-17/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide?
N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 474.34 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 24538219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).