N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide

C16H13BrN4O2 — CID 1178059

IUPACN-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide
SMILESNc1[nH]c(/N=N/C(=O)COc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C16H13BrN4O2/c17-10-5-7-11(8-6-10)23-9-14(22)20-21-16-13-4-2-1-3-12(13)15(18)19-16/h1-8,19H,9,18H2/b21-20+
InChIKeyHQIOWRWPFLAZCW-QZQOTICOSA-N
MW373.21 g/mol
LogP4.20
Rot. Bonds4

About N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide

N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide (PubChem CID 1178059) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide
PubChem CID1178059
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC NameN-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide
SMILESNc1[nH]c(/N=N/C(=O)COc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C16H13BrN4O2/c17-10-5-7-11(8-6-10)23-9-14(22)20-21-16-13-4-2-1-3-12(13)15(18)19-16/h1-8,19H,9,18H2/b21-20+
InChIKeyHQIOWRWPFLAZCW-QZQOTICOSA-N
XLogP4.20
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 136920263
2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
(2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide
CID 734801
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-cyclohexylphenoxy)acetamide
CID 137172279
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171
N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
CID 1377579
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559
N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide (CID 1178059) is N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide is Nc1[nH]c(/N=N/C(=O)COc2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide?
The InChIKey is HQIOWRWPFLAZCW-QZQOTICOSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-10-5-7-11(8-6-10)23-9-14(22)20-21-16-13-4-2-1-3-12(13)15(18)19-16/h1-8,19H,9,18H2/b21-20+.
What are the key properties of N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide?
N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide has a molecular weight of 373.21 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 1178059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).