N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide

C19H19Cl2N3O2 — CID 7460972

IUPACN-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
SMILESC/C(=N\NC(=O)CNC(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O2/c1-13(15-8-9-16(20)17(21)11-15)23-24-19(26)12-22-18(25)10-7-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10,12H2,1H3,(H,22,25)(H,24,26)/b23-13+
InChIKeyCFALMBHBABABNG-YDZHTSKRSA-N
MW392.29 g/mol
LogP3.58
Rot. Bonds7

About N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide

N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide (PubChem CID 7460972) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
PubChem CID7460972
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
SMILESC/C(=N\NC(=O)CNC(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O2/c1-13(15-8-9-16(20)17(21)11-15)23-24-19(26)12-22-18(25)10-7-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10,12H2,1H3,(H,22,25)(H,24,26)/b23-13+
InChIKeyCFALMBHBABABNG-YDZHTSKRSA-N
XLogP3.58
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-(3,4-dichlorophenyl)ethylideneamino]acetamide
CID 3593206
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
3-chloro-N-[3-[(Z)-C-methyl-N-(3-phenylpropanoylamino)carbonimidoyl]phenyl]benzamide
CID 126147743
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 7933131
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 6063456

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide (CID 7460972) is N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide is C/C(=N\NC(=O)CNC(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is CFALMBHBABABNG-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-13(15-8-9-16(20)17(21)11-15)23-24-19(26)12-22-18(25)10-7-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10,12H2,1H3,(H,22,25)(H,24,26)/b23-13+.
What are the key properties of N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 392.29 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 7460972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).