N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide

C22H26ClN3O4 — CID 24538954

IUPACN-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C22H26ClN3O4/c1-4-14(2)20(24-21(28)16-8-6-5-7-9-16)22(29)26-25-19(27)13-30-17-10-11-18(23)15(3)12-17/h5-12,14,20H,4,13H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t14-,20-/m0/s1
InChIKeyBARPZNCFKCFIFB-XOBRGWDASA-N
MW431.92 g/mol
LogP3.02
Rot. Bonds8

About N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide

N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 24538954) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID24538954
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC NameN-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C22H26ClN3O4/c1-4-14(2)20(24-21(28)16-8-6-5-7-9-16)22(29)26-25-19(27)13-30-17-10-11-18(23)15(3)12-17/h5-12,14,20H,4,13H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t14-,20-/m0/s1
InChIKeyBARPZNCFKCFIFB-XOBRGWDASA-N
XLogP3.02
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide 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-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide
CID 17150750
N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9033179
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
(2S,3R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964843
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
N-[1-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46521359
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 17404295

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide (CID 24538954) is N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)COc1ccc(Cl)c(C)c1.
What is the InChIKey of N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is BARPZNCFKCFIFB-XOBRGWDASA-N. The full InChI is InChI=1S/C22H26ClN3O4/c1-4-14(2)20(24-21(28)16-8-6-5-7-9-16)22(29)26-25-19(27)13-30-17-10-11-18(23)15(3)12-17/h5-12,14,20H,4,13H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/t14-,20-/m0/s1.
What are the key properties of N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 431.92 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 24538954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).