N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

C17H16N6O2 — CID 4850354

IUPACN-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C17H16N6O2/c1-2-25-16-9-3-13(4-10-16)11-18-20-17(24)14-5-7-15(8-6-14)23-12-19-21-22-23/h3-12H,2H2,1H3,(H,20,24)
InChIKeyMZDPKCLPZKBDNR-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.82
Rot. Bonds6

About N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 4850354) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID4850354
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C17H16N6O2/c1-2-25-16-9-3-13(4-10-16)11-18-20-17(24)14-5-7-15(8-6-14)23-12-19-21-22-23/h3-12H,2H2,1H3,(H,20,24)
InChIKeyMZDPKCLPZKBDNR-UHFFFAOYSA-N
XLogP1.82
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
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)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998138
methyl 4-[(E)-[[4-(tetrazol-1-yl)benzoyl]hydrazinylidene]methyl]benzoate
CID 42998177
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998205
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 8981672
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42999207
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 42995318
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 7991656

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide (CID 4850354) is N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide is CCOc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is MZDPKCLPZKBDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-2-25-16-9-3-13(4-10-16)11-18-20-17(24)14-5-7-15(8-6-14)23-12-19-21-22-23/h3-12H,2H2,1H3,(H,20,24).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide has a molecular weight of 336.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4850354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).