2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide

C16H15N3O5 — CID 122191194

IUPAC2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(O)c1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5/c20-14-3-1-2-11(8-14)9-15(21)17-10-16(22)18-12-4-6-13(7-5-12)19(23)24/h1-8,20H,9-10H2,(H,17,21)(H,18,22)
InChIKeyCAZOFSVHVBTHGZ-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.60
Rot. Bonds6

About 2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide

2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide (PubChem CID 122191194) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide
PubChem CID122191194
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(O)c1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5/c20-14-3-1-2-11(8-14)9-15(21)17-10-16(22)18-12-4-6-13(7-5-12)19(23)24/h1-8,20H,9-10H2,(H,17,21)(H,18,22)
InChIKeyCAZOFSVHVBTHGZ-UHFFFAOYSA-N
XLogP1.60
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide (CID 122191194) is 2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide is O=C(Cc1cccc(O)c1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide?
The InChIKey is CAZOFSVHVBTHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-14-3-1-2-11(8-14)9-15(21)17-10-16(22)18-12-4-6-13(7-5-12)19(23)24/h1-8,20H,9-10H2,(H,17,21)(H,18,22).
What are the key properties of 2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide?
2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide has a molecular weight of 329.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[2-(4-nitroanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 122191194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).