N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide

C14H16ClN7O — CID 2730086

IUPACN-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(N2CCCC2)n1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN7O/c15-12-5-3-11(4-6-12)9-16-17-13(23)10-22-19-14(18-20-22)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10H2,(H,17,23)
InChIKeyBOYBVDWPQVVGRU-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.08
Rot. Bonds5

About N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide

N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide (PubChem CID 2730086) has the molecular formula C14H16ClN7O and a molecular weight of 333.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide
PubChem CID2730086
Molecular FormulaC14H16ClN7O
Molecular Weight333.78 g/mol
Exact Mass333.11
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(N2CCCC2)n1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN7O/c15-12-5-3-11(4-6-12)9-16-17-13(23)10-22-19-14(18-20-22)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10H2,(H,17,23)
InChIKeyBOYBVDWPQVVGRU-UHFFFAOYSA-N
XLogP1.08
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.08
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

2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2730068
2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 2730075
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3938710
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
N-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6219660
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 948248
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6902043
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide (CID 2730086) is N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(N2CCCC2)n1)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide?
The InChIKey is BOYBVDWPQVVGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN7O/c15-12-5-3-11(4-6-12)9-16-17-13(23)10-22-19-14(18-20-22)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10H2,(H,17,23).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide?
N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide has a molecular weight of 333.78 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 2730086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).