4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide

C24H20ClN7O3 — CID 55937325

IUPAC4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide
SMILESO=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C24H20ClN7O3/c25-19-10-6-17(7-11-19)22(33)27-21(14-16-4-2-1-3-5-16)24(35)29-28-23(34)18-8-12-20(13-9-18)32-15-26-30-31-32/h1-13,15,21H,14H2,(H,27,33)(H,28,34)(H,29,35)/t21-/m0/s1
InChIKeyHWNAIVIUAVHOHY-NRFANRHFSA-N
MW489.92 g/mol
LogP2.12
Rot. Bonds7

About 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide

4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide (PubChem CID 55937325) has the molecular formula C24H20ClN7O3 and a molecular weight of 489.92 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide
PubChem CID55937325
Molecular FormulaC24H20ClN7O3
Molecular Weight489.92 g/mol
Exact Mass489.13
IUPAC Name4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide
SMILESO=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C24H20ClN7O3/c25-19-10-6-17(7-11-19)22(33)27-21(14-16-4-2-1-3-5-16)24(35)29-28-23(34)18-8-12-20(13-9-18)32-15-26-30-31-32/h1-13,15,21H,14H2,(H,27,33)(H,28,34)(H,29,35)/t21-/m0/s1
InChIKeyHWNAIVIUAVHOHY-NRFANRHFSA-N
XLogP2.12
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.92
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-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

N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
CID 41131633
4-chloro-N-[1-oxo-3-phenyl-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]benzamide
CID 55909729
N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30882374
N-[(2S)-1-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 59402204
[1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 24637062
N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 25353531
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112763066
4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide
CID 4882562
5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide
CID 39429005
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide (CID 55937325) is 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide is O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide?
The InChIKey is HWNAIVIUAVHOHY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20ClN7O3/c25-19-10-6-17(7-11-19)22(33)27-21(14-16-4-2-1-3-5-16)24(35)29-28-23(34)18-8-12-20(13-9-18)32-15-26-30-31-32/h1-13,15,21H,14H2,(H,27,33)(H,28,34)(H,29,35)/t21-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide?
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide has a molecular weight of 489.92 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide is sourced from PubChem (CID 55937325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).