(3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide

C21H24ClN3O4 — CID 7324293

IUPAC(3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide
SMILESCOc1ccc(C(=O)NNC(=O)C[C@@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C21H24ClN3O4/c1-13(10-19(26)23-16-7-4-14(2)18(22)12-16)11-20(27)24-25-21(28)15-5-8-17(29-3)9-6-15/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)/t13-/m0/s1
InChIKeyMJSHEORCFTWZSH-ZDUSSCGKSA-N
MW417.89 g/mol
LogP3.47
Rot. Bonds7

About (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide

(3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide (PubChem CID 7324293) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide.

Molecular Properties

Compound Name(3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide
PubChem CID7324293
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name(3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide
SMILESCOc1ccc(C(=O)NNC(=O)C[C@@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C21H24ClN3O4/c1-13(10-19(26)23-16-7-4-14(2)18(22)12-16)11-20(27)24-25-21(28)15-5-8-17(29-3)9-6-15/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)/t13-/m0/s1
InChIKeyMJSHEORCFTWZSH-ZDUSSCGKSA-N
XLogP3.47
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide 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-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
CID 3498149
(3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
CID 7324444
methyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1129160
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1125057
(3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide
CID 7321085
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide?
The IUPAC name of (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide (CID 7324293) is (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide.
What is the SMILES notation for (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide?
The canonical SMILES for (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide is COc1ccc(C(=O)NNC(=O)C[C@@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide?
The InChIKey is MJSHEORCFTWZSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-13(10-19(26)23-16-7-4-14(2)18(22)12-16)11-20(27)24-25-21(28)15-5-8-17(29-3)9-6-15/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)/t13-/m0/s1.
What are the key properties of (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide?
(3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide has a molecular weight of 417.89 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide is sourced from PubChem (CID 7324293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).