N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide

C16H16BrN3O2 — CID 3466804

IUPACN-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccc(Br)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H16BrN3O2/c1-11(12-2-6-14(18)7-3-12)19-20-16(21)10-22-15-8-4-13(17)5-9-15/h2-9H,10,18H2,1H3,(H,20,21)
InChIKeyYQTYSSUCTADPGA-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.95
Rot. Bonds5

About N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide

N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide (PubChem CID 3466804) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
PubChem CID3466804
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC NameN-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccc(Br)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H16BrN3O2/c1-11(12-2-6-14(18)7-3-12)19-20-16(21)10-22-15-8-4-13(17)5-9-15/h2-9H,10,18H2,1H3,(H,20,21)
InChIKeyYQTYSSUCTADPGA-UHFFFAOYSA-N
XLogP2.95
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909337
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide
CID 6231630
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 9359023
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428196
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide (CID 3466804) is N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide is CC(=NNC(=O)COc1ccc(Br)cc1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide?
The InChIKey is YQTYSSUCTADPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-11(12-2-6-14(18)7-3-12)19-20-16(21)10-22-15-8-4-13(17)5-9-15/h2-9H,10,18H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide?
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide has a molecular weight of 362.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 3466804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).