3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide

C16H15N3O4 — CID 171131742

IUPAC3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
SMILESO=C(CCc1ccccc1O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O4/c20-15-7-2-1-5-13(15)8-9-16(21)18-17-11-12-4-3-6-14(10-12)19(22)23/h1-7,10-11,20H,8-9H2,(H,18,21)
InChIKeyJRRDFYOCOALMKT-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.38
Rot. Bonds6

About 3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide

3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide (PubChem CID 171131742) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
PubChem CID171131742
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
SMILESO=C(CCc1ccccc1O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O4/c20-15-7-2-1-5-13(15)8-9-16(21)18-17-11-12-4-3-6-14(10-12)19(22)23/h1-7,10-11,20H,8-9H2,(H,18,21)
InChIKeyJRRDFYOCOALMKT-UHFFFAOYSA-N
XLogP2.38
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.38
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

N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide
CID 2832941
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 3834510
N-naphthalen-1-yl-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 4596802
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
N-(4-methylphenyl)-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 3524333
2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3948081
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4653264

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide (CID 171131742) is 3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide is O=C(CCc1ccccc1O)NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide?
The InChIKey is JRRDFYOCOALMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-15-7-2-1-5-13(15)8-9-16(21)18-17-11-12-4-3-6-14(10-12)19(22)23/h1-7,10-11,20H,8-9H2,(H,18,21).
What are the key properties of 3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide?
3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide has a molecular weight of 313.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide is sourced from PubChem (CID 171131742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).