N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

C15H10F2N6O — CID 42999207

IUPACN-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESO=C(N/N=C/c1ccc(F)c(F)c1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H10F2N6O/c16-13-6-1-10(7-14(13)17)8-18-20-15(24)11-2-4-12(5-3-11)23-9-19-21-22-23/h1-9H,(H,20,24)/b18-8+
InChIKeyGKYSCAGORNHZIK-QGMBQPNBSA-N
MW328.28 g/mol
LogP1.70
Rot. Bonds4

About N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 42999207) has the molecular formula C15H10F2N6O and a molecular weight of 328.28 g/mol. Its IUPAC name is N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID42999207
Molecular FormulaC15H10F2N6O
Molecular Weight328.28 g/mol
Exact Mass328.09
IUPAC NameN-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESO=C(N/N=C/c1ccc(F)c(F)c1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H10F2N6O/c16-13-6-1-10(7-14(13)17)8-18-20-15(24)11-2-4-12(5-3-11)23-9-19-21-22-23/h1-9H,(H,20,24)/b18-8+
InChIKeyGKYSCAGORNHZIK-QGMBQPNBSA-N
XLogP1.70
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 51.70
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-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 8981672
N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4854323
methyl 4-[(E)-[[4-(tetrazol-1-yl)benzoyl]hydrazinylidene]methyl]benzoate
CID 42998177
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998227
N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4850354
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998138
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998205
N-[(E)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804600
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998225
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998216
N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4848296

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide (CID 42999207) is N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide is O=C(N/N=C/c1ccc(F)c(F)c1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is GKYSCAGORNHZIK-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H10F2N6O/c16-13-6-1-10(7-14(13)17)8-18-20-15(24)11-2-4-12(5-3-11)23-9-19-21-22-23/h1-9H,(H,20,24)/b18-8+.
What are the key properties of N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide has a molecular weight of 328.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42999207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).