N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide

C20H22ClN3O4 — CID 3383669

IUPACN-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
SMILESCc1ccc(NC(=O)COCC(=O)NNC(=O)CCc2ccccc2)cc1Cl
InChIInChI=1S/C20H22ClN3O4/c1-14-7-9-16(11-17(14)21)22-19(26)12-28-13-20(27)24-23-18(25)10-8-15-5-3-2-4-6-15/h2-7,9,11H,8,10,12-13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyIKBMVBUTSWHUGI-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.38
Rot. Bonds8

About N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide

N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide (PubChem CID 3383669) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
PubChem CID3383669
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
SMILESCc1ccc(NC(=O)COCC(=O)NNC(=O)CCc2ccccc2)cc1Cl
InChIInChI=1S/C20H22ClN3O4/c1-14-7-9-16(11-17(14)21)22-19(26)12-28-13-20(27)24-23-18(25)10-8-15-5-3-2-4-6-15/h2-7,9,11H,8,10,12-13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyIKBMVBUTSWHUGI-UHFFFAOYSA-N
XLogP2.38
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.38
H-Bond Donors ≤ 53
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-(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
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6041509
N-(2,3-dichlorophenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
CID 3412271
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
CID 63936302
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 4591298
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide (CID 3383669) is N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide is Cc1ccc(NC(=O)COCC(=O)NNC(=O)CCc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide?
The InChIKey is IKBMVBUTSWHUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-14-7-9-16(11-17(14)21)22-19(26)12-28-13-20(27)24-23-18(25)10-8-15-5-3-2-4-6-15/h2-7,9,11H,8,10,12-13H2,1H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide?
N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide has a molecular weight of 403.87 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide is sourced from PubChem (CID 3383669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).