N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C16H13BrN6O — CID 5235899

IUPACN-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cccc(Br)c1
InChIInChI=1S/C16H13BrN6O/c17-14-8-4-5-12(9-14)10-18-19-15(24)11-23-21-16(20-22-23)13-6-2-1-3-7-13/h1-10H,11H2,(H,19,24)
InChIKeyXQTVRJYPHLENNJ-UHFFFAOYSA-N
MW385.23 g/mol
LogP2.25
Rot. Bonds5

About N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 5235899) has the molecular formula C16H13BrN6O and a molecular weight of 385.23 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID5235899
Molecular FormulaC16H13BrN6O
Molecular Weight385.23 g/mol
Exact Mass384.03
IUPAC NameN-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cccc(Br)c1
InChIInChI=1S/C16H13BrN6O/c17-14-8-4-5-12(9-14)10-18-19-15(24)11-23-21-16(20-22-23)13-6-2-1-3-7-13/h1-10H,11H2,(H,19,24)
InChIKeyXQTVRJYPHLENNJ-UHFFFAOYSA-N
XLogP2.25
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 52.25
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-bromophenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 6032432
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929862
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6902043
N-[[3-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4102305
N-[(3-phenylmethoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3909983
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 1079468
[2-methoxy-4-[(E)-[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 171985576
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3688564
N-[3-(4-bromophenyl)prop-2-enylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3802747
N-[(E)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 25250896

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 5235899) is N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is XQTVRJYPHLENNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN6O/c17-14-8-4-5-12(9-14)10-18-19-15(24)11-23-21-16(20-22-23)13-6-2-1-3-7-13/h1-10H,11H2,(H,19,24).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 385.23 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 5235899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).