N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide

C16H15BrN2O2 — CID 5415702

IUPACN-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C16H15BrN2O2/c1-12(20)19-18-10-14-9-15(17)7-8-16(14)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyQMDDHMSUGQPHSU-ZDLGFXPLSA-N
MW347.21 g/mol
LogP3.50
Rot. Bonds5

About N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide

N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 5415702) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID5415702
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C16H15BrN2O2/c1-12(20)19-18-10-14-9-15(17)7-8-16(14)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyQMDDHMSUGQPHSU-ZDLGFXPLSA-N
XLogP3.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
CID 51062342
N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6263316
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
N-[(Z)-[5-bromo-2-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 6262095
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332805
N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51060784
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456
N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6266636
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 4260574
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126338966
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 5415702) is N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide is CC(=O)N/N=C\c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is QMDDHMSUGQPHSU-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-12(20)19-18-10-14-9-15(17)7-8-16(14)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-10-.
What are the key properties of N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide?
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 347.21 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5415702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).