N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide

C16H12Cl2N6O — CID 46804642

IUPACN-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESC/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N6O/c1-10(12-4-7-14(17)15(18)8-12)20-21-16(25)11-2-5-13(6-3-11)24-9-19-22-23-24/h2-9H,1H3,(H,21,25)/b20-10+
InChIKeyAPEZRLICXACCNU-KEBDBYFISA-N
MW375.22 g/mol
LogP3.12
Rot. Bonds4

About N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide

N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 46804642) has the molecular formula C16H12Cl2N6O and a molecular weight of 375.22 g/mol. Its IUPAC name is N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID46804642
Molecular FormulaC16H12Cl2N6O
Molecular Weight375.22 g/mol
Exact Mass374.04
IUPAC NameN-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESC/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N6O/c1-10(12-4-7-14(17)15(18)8-12)20-21-16(25)11-2-5-13(6-3-11)24-9-19-22-23-24/h2-9H,1H3,(H,21,25)/b20-10+
InChIKeyAPEZRLICXACCNU-KEBDBYFISA-N
XLogP3.12
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998227
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998171
N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4848296
4-hydroxy-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9072699
3,5-dinitro-N-[(E)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 44726593
N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804640
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6285513
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998216
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
4-(tetrazol-1-yl)benzohydrazide
CID 2114009

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide (CID 46804642) is N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide is C/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is APEZRLICXACCNU-KEBDBYFISA-N. The full InChI is InChI=1S/C16H12Cl2N6O/c1-10(12-4-7-14(17)15(18)8-12)20-21-16(25)11-2-5-13(6-3-11)24-9-19-22-23-24/h2-9H,1H3,(H,21,25)/b20-10+.
What are the key properties of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide has a molecular weight of 375.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46804642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).