(3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide

C17H22ClN3O3 — CID 7321134

IUPAC(3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESC/C(CC(=O)NC[C@H]1CCCO1)=N/NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O3/c1-12(9-16(22)19-11-15-3-2-8-24-15)20-21-17(23)10-13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-11H2,1H3,(H,19,22)(H,21,23)/b20-12-/t15-/m1/s1
InChIKeyGKYSILXFCJEMGC-GEYIUBJWSA-N
MW351.83 g/mol
LogP2.06
Rot. Bonds7

About (3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide

(3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide (PubChem CID 7321134) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is (3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
PubChem CID7321134
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name(3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESC/C(CC(=O)NC[C@H]1CCCO1)=N/NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O3/c1-12(9-16(22)19-11-15-3-2-8-24-15)20-21-17(23)10-13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-11H2,1H3,(H,19,22)(H,21,23)/b20-12-/t15-/m1/s1
InChIKeyGKYSILXFCJEMGC-GEYIUBJWSA-N
XLogP2.06
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxy-N-[(E)-[4-oxo-4-(oxolan-2-ylmethylamino)butan-2-ylidene]amino]benzamide
CID 171980726
4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427432
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2223143
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
1-[1-(4-chlorophenyl)ethylideneamino]-3-(oxolan-2-ylmethyl)thiourea
CID 4534578
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358
1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 17182016
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of (3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide (CID 7321134) is (3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for (3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for (3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide is C/C(CC(=O)NC[C@H]1CCCO1)=N/NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of (3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The InChIKey is GKYSILXFCJEMGC-GEYIUBJWSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-12(9-16(22)19-11-15-3-2-8-24-15)20-21-17(23)10-13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-11H2,1H3,(H,19,22)(H,21,23)/b20-12-/t15-/m1/s1.
What are the key properties of (3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
(3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide has a molecular weight of 351.83 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]-N-[[(2R)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 7321134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).