N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide

C15H13N3O4 — CID 758520

IUPACN-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C15H13N3O4/c1-10(19)17-13-4-2-3-12(8-13)16-9-11-7-14(18(21)22)5-6-15(11)20/h2-9,20H,1H3,(H,17,19)/b16-9+
InChIKeyDLJBTFHLRSGOQH-CXUHLZMHSA-N
MW299.29 g/mol
LogP3.01
Rot. Bonds4

About N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide

N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide (PubChem CID 758520) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
PubChem CID758520
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C15H13N3O4/c1-10(19)17-13-4-2-3-12(8-13)16-9-11-7-14(18(21)22)5-6-15(11)20/h2-9,20H,1H3,(H,17,19)/b16-9+
InChIKeyDLJBTFHLRSGOQH-CXUHLZMHSA-N
XLogP3.01
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.01
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

2-[(3-methylsulfonylphenyl)iminomethyl]-4-nitrophenol
CID 135855366
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 4029850
2-[[3-(furan-2-carbonylamino)phenyl]iminomethyl]-4-nitrophenolate
CID 6964779
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250
N-(3-bromophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide
CID 135420190
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 135775232
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
N-(3-bromophenyl)-N'-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]pentanediamide
CID 135796257
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
2-[(3-benzamidophenyl)iminomethyl]-6-methoxy-4-nitrophenolate
CID 7349348

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide (CID 758520) is N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide is CC(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide?
The InChIKey is DLJBTFHLRSGOQH-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-10(19)17-13-4-2-3-12(8-13)16-9-11-7-14(18(21)22)5-6-15(11)20/h2-9,20H,1H3,(H,17,19)/b16-9+.
What are the key properties of N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide?
N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide has a molecular weight of 299.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 758520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).