2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide

C23H21ClN2O3 — CID 17073460

IUPAC2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C23H21ClN2O3/c1-2-21(23(28)26-25-22(27)19-10-6-7-11-20(19)24)29-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,21H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyNMBMJYGNKZDNJP-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.63
Rot. Bonds6

About 2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide

2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide (PubChem CID 17073460) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
PubChem CID17073460
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C23H21ClN2O3/c1-2-21(23(28)26-25-22(27)19-10-6-7-11-20(19)24)29-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,21H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyNMBMJYGNKZDNJP-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
CID 17073544
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide
CID 17073452
N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide
CID 4931745
N'-[2-(4-methoxyphenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073439
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073519
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
CID 17073364
(2R)-N-(2,6-dichlorophenyl)-2-phenoxybutanamide
CID 7890128
N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073395
N'-[2-(4-chlorophenyl)acetyl]-2-phenoxybutanehydrazide
CID 4929839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide (CID 17073460) is 2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
The InChIKey is NMBMJYGNKZDNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-2-21(23(28)26-25-22(27)19-10-6-7-11-20(19)24)29-18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15,21H,2H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide has a molecular weight of 408.89 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 17073460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).