N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide

C16H15BrN2O — CID 780756

IUPACN-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
SMILESCC(=NNC(=O)Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O/c1-12(14-7-9-15(17)10-8-14)18-19-16(20)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyVGDRYCPWILJJCH-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.53
Rot. Bonds4

About N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide

N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide (PubChem CID 780756) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
PubChem CID780756
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
SMILESCC(=NNC(=O)Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O/c1-12(14-7-9-15(17)10-8-14)18-19-16(20)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyVGDRYCPWILJJCH-UHFFFAOYSA-N
XLogP3.53
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-1-(4-ethylphenyl)ethylideneamino]-2-phenylacetamide
CID 6343025
2-phenyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 6262359
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate
CID 146162369
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 6132667
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 697308
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 25237297
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide (CID 780756) is N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide is CC(=NNC(=O)Cc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide?
The InChIKey is VGDRYCPWILJJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-12(14-7-9-15(17)10-8-14)18-19-16(20)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide?
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide has a molecular weight of 331.21 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide is sourced from PubChem (CID 780756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).