N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide

C19H18Cl3N3O4 — CID 3516306

IUPACN-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl3N3O4/c1-11-13(21)3-2-4-15(11)23-17(26)7-8-18(27)24-25-19(28)10-29-16-6-5-12(20)9-14(16)22/h2-6,9H,7-8,10H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyWEMZTICYXAHHLR-UHFFFAOYSA-N
MW458.73 g/mol
LogP3.90
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide

N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide (PubChem CID 3516306) has the molecular formula C19H18Cl3N3O4 and a molecular weight of 458.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
PubChem CID3516306
Molecular FormulaC19H18Cl3N3O4
Molecular Weight458.73 g/mol
Exact Mass457.04
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl3N3O4/c1-11-13(21)3-2-4-15(11)23-17(26)7-8-18(27)24-25-19(28)10-29-16-6-5-12(20)9-14(16)22/h2-6,9H,7-8,10H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyWEMZTICYXAHHLR-UHFFFAOYSA-N
XLogP3.90
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.73
LogP ≤ 53.90
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

4-[2-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17051812
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761205
4-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3997287
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3550722
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
CID 2208364
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3341674
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 4931207
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 4501866
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 575319
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide (CID 3516306) is N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide is Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is WEMZTICYXAHHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O4/c1-11-13(21)3-2-4-15(11)23-17(26)7-8-18(27)24-25-19(28)10-29-16-6-5-12(20)9-14(16)22/h2-6,9H,7-8,10H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 458.73 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3516306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).