N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C21H24ClN3O4 — CID 55468080

IUPACN-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C21H24ClN3O4/c1-12(2)10-17(23-19(27)15-7-5-4-6-13(15)3)21(29)25-24-20(28)16-11-14(22)8-9-18(16)26/h4-9,11-12,17,26H,10H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyHBXKFSZJGDAZPF-UHFFFAOYSA-N
MW417.89 g/mol
LogP2.96
Rot. Bonds6

About N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 55468080) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID55468080
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC NameN-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C21H24ClN3O4/c1-12(2)10-17(23-19(27)15-7-5-4-6-13(15)3)21(29)25-24-20(28)16-11-14(22)8-9-18(16)26/h4-9,11-12,17,26H,10H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyHBXKFSZJGDAZPF-UHFFFAOYSA-N
XLogP2.96
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 52.96
H-Bond Donors ≤ 54
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-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9402546
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
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9332535
N-[1-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 3909200
N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9425695
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
N-[(2S)-1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55936922
2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
CID 75413015
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 55468080) is N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is HBXKFSZJGDAZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-12(2)10-17(23-19(27)15-7-5-4-6-13(15)3)21(29)25-24-20(28)16-11-14(22)8-9-18(16)26/h4-9,11-12,17,26H,10H2,1-3H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 417.89 g/mol, XLogP of 2.96, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 55468080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).