N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide

C18H18ClN3O4 — CID 42209652

IUPACN-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
SMILESC[C@H](CC(=O)NNC(=O)c1cc(Cl)ccc1O)NC(=O)c1ccccc1
InChIInChI=1S/C18H18ClN3O4/c1-11(20-17(25)12-5-3-2-4-6-12)9-16(24)21-22-18(26)14-10-13(19)7-8-15(14)23/h2-8,10-11,23H,9H2,1H3,(H,20,25)(H,21,24)(H,22,26)/t11-/m1/s1
InChIKeyALOVMVFJCHUKFG-LLVKDONJSA-N
MW375.81 g/mol
LogP2.02
Rot. Bonds5

About N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide

N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide (PubChem CID 42209652) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
PubChem CID42209652
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
SMILESC[C@H](CC(=O)NNC(=O)c1cc(Cl)ccc1O)NC(=O)c1ccccc1
InChIInChI=1S/C18H18ClN3O4/c1-11(20-17(25)12-5-3-2-4-6-12)9-16(24)21-22-18(26)14-10-13(19)7-8-15(14)23/h2-8,10-11,23H,9H2,1H3,(H,20,25)(H,21,24)(H,22,26)/t11-/m1/s1
InChIKeyALOVMVFJCHUKFG-LLVKDONJSA-N
XLogP2.02
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-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

5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
N-[(2S)-1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55936922
N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 134049279
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 46689775
N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24636072
methyl 3-benzamidobutanoate
CID 10857046
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113248423
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide (CID 42209652) is N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide is C[C@H](CC(=O)NNC(=O)c1cc(Cl)ccc1O)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
The InChIKey is ALOVMVFJCHUKFG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-11(20-17(25)12-5-3-2-4-6-12)9-16(24)21-22-18(26)14-10-13(19)7-8-15(14)23/h2-8,10-11,23H,9H2,1H3,(H,20,25)(H,21,24)(H,22,26)/t11-/m1/s1.
What are the key properties of N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide has a molecular weight of 375.81 g/mol, XLogP of 2.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 42209652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).