N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide

C18H17Cl2N3O2 — CID 4007590

IUPACN-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide
SMILESCC(CCc1ccccc1)=NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2/c1-12(7-8-13-5-3-2-4-6-13)22-23-18(25)17(24)21-14-9-10-15(19)16(20)11-14/h2-6,9-11H,7-8H2,1H3,(H,21,24)(H,23,25)
InChIKeyQWBUBFNPUUZPOS-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.06
Rot. Bonds5

About N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide

N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide (PubChem CID 4007590) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide
PubChem CID4007590
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide
SMILESCC(CCc1ccccc1)=NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2/c1-12(7-8-13-5-3-2-4-6-13)22-23-18(25)17(24)21-14-9-10-15(19)16(20)11-14/h2-6,9-11H,7-8H2,1H3,(H,21,24)(H,23,25)
InChIKeyQWBUBFNPUUZPOS-UHFFFAOYSA-N
XLogP4.06
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.06
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'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3105090
N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7700055
N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7308891
N'-[(E)-[4-(3,4-dichloroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 51064207
(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6041509
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113122324
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 46919896
N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
CID 94833681
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 45054187
N-(3,4-dichlorophenyl)-3-(propanoylhydrazinylidene)butanamide
CID 546204
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide (CID 4007590) is N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide is CC(CCc1ccccc1)=NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide?
The InChIKey is QWBUBFNPUUZPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-12(7-8-13-5-3-2-4-6-13)22-23-18(25)17(24)21-14-9-10-15(19)16(20)11-14/h2-6,9-11H,7-8H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide?
N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide has a molecular weight of 378.26 g/mol, XLogP of 4.06, 5 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'-(4-phenylbutan-2-ylideneamino)oxamide is sourced from PubChem (CID 4007590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).