N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide

C16H14Cl2N2O — CID 5410906

IUPACN-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
SMILESC/C(=N/NC(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c1-11(13-7-8-14(17)15(18)10-13)19-20-16(21)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,20,21)/b19-11-
InChIKeySWYFHVVOTDWQTL-ODLFYWEKSA-N
MW321.21 g/mol
LogP4.08
Rot. Bonds4

About N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide

N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide (PubChem CID 5410906) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
PubChem CID5410906
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC NameN-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
SMILESC/C(=N/NC(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c1-11(13-7-8-14(17)15(18)10-13)19-20-16(21)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,20,21)/b19-11-
InChIKeySWYFHVVOTDWQTL-ODLFYWEKSA-N
XLogP4.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 7460972
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 46804454
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-phenylacetamide
CID 6343025
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-(3,4-dichlorophenyl)ethylideneamino]acetamide
CID 3593206
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
2-phenyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 6262359
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide (CID 5410906) is N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide is C/C(=N/NC(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide?
The InChIKey is SWYFHVVOTDWQTL-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-11(13-7-8-14(17)15(18)10-13)19-20-16(21)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide?
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide has a molecular weight of 321.21 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide is sourced from PubChem (CID 5410906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).