N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide

C18H15Cl2N3O2 — CID 45054187

IUPACN-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3O2/c1-12(9-13-5-3-2-4-6-13)11-21-23-18(25)17(24)22-14-7-8-15(19)16(20)10-14/h2-11H,1H3,(H,22,24)(H,23,25)/b12-9-,21-11+
InChIKeyNYRBSAIZXIUKNK-TZFUXPCGSA-N
MW376.24 g/mol
LogP4.14
Rot. Bonds4

About N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide

N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide (PubChem CID 45054187) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
PubChem CID45054187
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3O2/c1-12(9-13-5-3-2-4-6-13)11-21-23-18(25)17(24)22-14-7-8-15(19)16(20)10-14/h2-11H,1H3,(H,22,24)(H,23,25)/b12-9-,21-11+
InChIKeyNYRBSAIZXIUKNK-TZFUXPCGSA-N
XLogP4.14
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 99907772
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 3604204
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide
CID 45054176
2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3623202
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]-N-naphthalen-1-yloxamide
CID 3350985
N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 9352240
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 4147303
N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide
CID 4007590
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide (CID 45054187) is N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide is CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
The InChIKey is NYRBSAIZXIUKNK-TZFUXPCGSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-12(9-13-5-3-2-4-6-13)11-21-23-18(25)17(24)22-14-7-8-15(19)16(20)10-14/h2-11H,1H3,(H,22,24)(H,23,25)/b12-9-,21-11+.
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide has a molecular weight of 376.24 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide is sourced from PubChem (CID 45054187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).