2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide

C17H15Cl2N3O3 — CID 2712046

IUPAC2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15Cl2N3O3/c1-10(20-16(24)11-6-2-4-8-13(11)18)15(23)21-22-17(25)12-7-3-5-9-14(12)19/h2-10H,1H3,(H,20,24)(H,21,23)(H,22,25)/t10-/m0/s1
InChIKeyAXQBVPHTUCYCHG-JTQLQIEISA-N
MW380.23 g/mol
LogP2.57
Rot. Bonds4

About 2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 2712046) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID2712046
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15Cl2N3O3/c1-10(20-16(24)11-6-2-4-8-13(11)18)15(23)21-22-17(25)12-7-3-5-9-14(12)19/h2-10H,1H3,(H,20,24)(H,21,23)(H,22,25)/t10-/m0/s1
InChIKeyAXQBVPHTUCYCHG-JTQLQIEISA-N
XLogP2.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide
CID 9164025
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 30131687
2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18285174
2-chloro-N-[(2S)-1-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 8942314
2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9375775
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 51148209
2,3-dichloro-N'-(2-methylpropanoyl)benzohydrazide
CID 26890563
2,3-dichloro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 55741094
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 2712046) is 2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is AXQBVPHTUCYCHG-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-10(20-16(24)11-6-2-4-8-13(11)18)15(23)21-22-17(25)12-7-3-5-9-14(12)19/h2-10H,1H3,(H,20,24)(H,21,23)(H,22,25)/t10-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 380.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 2712046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).