N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide

C16H13FN6O — CID 4848296

IUPACN-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESCC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN6O/c1-11(12-2-6-14(17)7-3-12)19-20-16(24)13-4-8-15(9-5-13)23-10-18-21-22-23/h2-10H,1H3,(H,20,24)
InChIKeyMZWKPCWOXRQCCB-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.96
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide

N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 4848296) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID4848296
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC NameN-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESCC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN6O/c1-11(12-2-6-14(17)7-3-12)19-20-16(24)13-4-8-15(9-5-13)23-10-18-21-22-23/h2-10H,1H3,(H,20,24)
InChIKeyMZWKPCWOXRQCCB-UHFFFAOYSA-N
XLogP1.96
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide (CID 4848296) is N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide is CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is MZWKPCWOXRQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-11(12-2-6-14(17)7-3-12)19-20-16(24)13-4-8-15(9-5-13)23-10-18-21-22-23/h2-10H,1H3,(H,20,24).
What are the key properties of N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide has a molecular weight of 324.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4848296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).