N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide

C25H24ClN3O4 — CID 42427000

IUPACN-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
SMILESC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H24ClN3O4/c1-17(33-20-13-11-19(12-14-20)18-7-3-2-4-8-18)25(32)29-28-24(31)16-15-23(30)27-22-10-6-5-9-21(22)26/h2-14,17H,15-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)/t17-/m1/s1
InChIKeyQNINOBINILOZLE-QGZVFWFLSA-N
MW465.94 g/mol
LogP4.34
Rot. Bonds8

About N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide

N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide (PubChem CID 42427000) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
PubChem CID42427000
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC NameN-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
SMILESC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H24ClN3O4/c1-17(33-20-13-11-19(12-14-20)18-7-3-2-4-8-18)25(32)29-28-24(31)16-15-23(30)27-22-10-6-5-9-21(22)26/h2-14,17H,15-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)/t17-/m1/s1
InChIKeyQNINOBINILOZLE-QGZVFWFLSA-N
XLogP4.34
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.34
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

N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 5120294
4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4928607
N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide
CID 4951768
N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
CID 4953857
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4942937
N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
CID 5120284
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816
N-(2,4-dimethylphenyl)-4-oxo-4-[2-(2-phenoxypropanoyl)hydrazinyl]butanamide
CID 4940056
N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4512967

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide?
The IUPAC name of N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide (CID 42427000) is N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide is C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide?
The InChIKey is QNINOBINILOZLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-17(33-20-13-11-19(12-14-20)18-7-3-2-4-8-18)25(32)29-28-24(31)16-15-23(30)27-22-10-6-5-9-21(22)26/h2-14,17H,15-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)/t17-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide?
N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide has a molecular weight of 465.94 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide is sourced from PubChem (CID 42427000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).