2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide

C15H12BrN3O4 — CID 4281066

IUPAC2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(NN=Cc1ccccc1[N+](=O)[O-])C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O4/c16-12-7-5-10(6-8-12)14(20)15(21)18-17-9-11-3-1-2-4-13(11)19(22)23/h1-9,14,20H,(H,18,21)
InChIKeyNFWJXURSAXRRIG-UHFFFAOYSA-N
MW378.18 g/mol
LogP2.54
Rot. Bonds5

About 2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide

2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide (PubChem CID 4281066) has the molecular formula C15H12BrN3O4 and a molecular weight of 378.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide
PubChem CID4281066
Molecular FormulaC15H12BrN3O4
Molecular Weight378.18 g/mol
Exact Mass377.00
IUPAC Name2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(NN=Cc1ccccc1[N+](=O)[O-])C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O4/c16-12-7-5-10(6-8-12)14(20)15(21)18-17-9-11-3-1-2-4-13(11)19(22)23/h1-9,14,20H,(H,18,21)
InChIKeyNFWJXURSAXRRIG-UHFFFAOYSA-N
XLogP2.54
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5435235
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6153999
(2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126153717
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 5414501
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-nitrophenyl)methylideneamino]propanamide
CID 5123615
(4R)-4-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-phenylbutanamide
CID 94833743
2-hydroxy-N-[(3-hydroxy-4-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3446242
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6902022
(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 129441465

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide (CID 4281066) is 2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide is O=C(NN=Cc1ccccc1[N+](=O)[O-])C(O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is NFWJXURSAXRRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O4/c16-12-7-5-10(6-8-12)14(20)15(21)18-17-9-11-3-1-2-4-13(11)19(22)23/h1-9,14,20H,(H,18,21).
What are the key properties of 2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide?
2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 378.18 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4281066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).