2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide

C18H15BrN4O2 — CID 8979522

IUPAC2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1)N/N=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H15BrN4O2/c19-15-6-8-17(9-7-15)25-13-18(24)22-20-10-14-11-21-23(12-14)16-4-2-1-3-5-16/h1-12H,13H2,(H,22,24)/b20-10-
InChIKeyLTTBFZRTEBVDDK-JMIUGGIZSA-N
MW399.25 g/mol
LogP3.16
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide

2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 8979522) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID8979522
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1)N/N=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H15BrN4O2/c19-15-6-8-17(9-7-15)25-13-18(24)22-20-10-14-11-21-23(12-14)16-4-2-1-3-5-16/h1-12H,13H2,(H,22,24)/b20-10-
InChIKeyLTTBFZRTEBVDDK-JMIUGGIZSA-N
XLogP3.16
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
CID 8981777
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097
N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
CID 5101111
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
2-(4-bromophenoxy)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136749235
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 8982260
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
[4-[[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5050842
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide (CID 8979522) is 2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide is O=C(COc1ccc(Br)cc1)N/N=C\c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is LTTBFZRTEBVDDK-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c19-15-6-8-17(9-7-15)25-13-18(24)22-20-10-14-11-21-23(12-14)16-4-2-1-3-5-16/h1-12H,13H2,(H,22,24)/b20-10-.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 399.25 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 8979522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).