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

C18H17N7O2 — CID 42998171

IUPACN-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESCC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C18H17N7O2/c1-12(15-4-3-5-16(10-15)20-13(2)26)21-22-18(27)14-6-8-17(9-7-14)25-11-19-23-24-25/h3-11H,1-2H3,(H,20,26)(H,22,27)/b21-12+
InChIKeyNFWLLCCKZOCUJM-CIAFOILYSA-N
MW363.38 g/mol
LogP1.77
Rot. Bonds5

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

N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 42998171) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID42998171
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESCC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C18H17N7O2/c1-12(15-4-3-5-16(10-15)20-13(2)26)21-22-18(27)14-6-8-17(9-7-14)25-11-19-23-24-25/h3-11H,1-2H3,(H,20,26)(H,22,27)/b21-12+
InChIKeyNFWLLCCKZOCUJM-CIAFOILYSA-N
XLogP1.77
TPSA114.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804642
4-hydroxy-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9072699
4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534
N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998227
N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4848296
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6285513
N-[(E)-1-(2-bromophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804640
3,5-dinitro-N-[(E)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 44726593
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide (CID 42998171) is N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide is CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(-n3cnnn3)cc2)c1.
What is the InChIKey of N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is NFWLLCCKZOCUJM-CIAFOILYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-12(15-4-3-5-16(10-15)20-13(2)26)21-22-18(27)14-6-8-17(9-7-14)25-11-19-23-24-25/h3-11H,1-2H3,(H,20,26)(H,22,27)/b21-12+.
What are the key properties of N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide has a molecular weight of 363.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42998171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).