2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide

C18H20ClN3O2 — CID 7923263

IUPAC2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H20ClN3O2/c1-12-3-8-16(13(2)9-12)20-11-18(24)22-21-17(23)10-14-4-6-15(19)7-5-14/h3-9,20H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAYTJNWCFYDDTHM-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide

2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide (PubChem CID 7923263) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
PubChem CID7923263
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H20ClN3O2/c1-12-3-8-16(13(2)9-12)20-11-18(24)22-21-17(23)10-14-4-6-15(19)7-5-14/h3-9,20H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAYTJNWCFYDDTHM-UHFFFAOYSA-N
XLogP2.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 9432559
N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 968022
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dimethylanilino)acetamide
CID 109006978
(E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
CID 9432330
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 9432686
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 9432088
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3,4-dimethylphenyl)-4-oxobutanehydrazide
CID 55406874
N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9273255
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide (CID 7923263) is 2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide is Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
The InChIKey is AYTJNWCFYDDTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-3-8-16(13(2)9-12)20-11-18(24)22-21-17(23)10-14-4-6-15(19)7-5-14/h3-9,20H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide has a molecular weight of 345.83 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide is sourced from PubChem (CID 7923263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).