N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide

C17H15BrN6O2 — CID 6030285

IUPACN-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N/N=C\c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C17H15BrN6O2/c18-15-6-3-4-13(8-15)11-26-16-7-2-1-5-14(16)9-19-21-17(25)10-24-12-20-22-23-24/h1-9,12H,10-11H2,(H,21,25)/b19-9-
InChIKeyKCCGKMSXWVAXGW-OCKHKDLRSA-N
MW415.25 g/mol
LogP2.16
Rot. Bonds7

About N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide

N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide (PubChem CID 6030285) has the molecular formula C17H15BrN6O2 and a molecular weight of 415.25 g/mol. Its IUPAC name is N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide
PubChem CID6030285
Molecular FormulaC17H15BrN6O2
Molecular Weight415.25 g/mol
Exact Mass414.04
IUPAC NameN-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N/N=C\c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C17H15BrN6O2/c18-15-6-3-4-13(8-15)11-26-16-7-2-1-5-14(16)9-19-21-17(25)10-24-12-20-22-23-24/h1-9,12H,10-11H2,(H,21,25)/b19-9-
InChIKeyKCCGKMSXWVAXGW-OCKHKDLRSA-N
XLogP2.16
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 52.16
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-(benzotriazol-1-yl)-N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 6083500
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
2-(benzotriazol-2-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5497892
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide
CID 3438844
3-bromo-N-[2-[(2E)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 51060854
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 12005344
(2R)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 124834516
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
N'-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-N-(3-nitrophenyl)butanediamide
CID 5101307
(2S)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3-methylanilino)propanamide
CID 124834052

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide (CID 6030285) is N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)N/N=C\c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide?
The InChIKey is KCCGKMSXWVAXGW-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H15BrN6O2/c18-15-6-3-4-13(8-15)11-26-16-7-2-1-5-14(16)9-19-21-17(25)10-24-12-20-22-23-24/h1-9,12H,10-11H2,(H,21,25)/b19-9-.
What are the key properties of N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide?
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide has a molecular weight of 415.25 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 6030285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).