N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide

C18H14N2O5 — CID 8797293

IUPACN-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1c(O)ccc2ccccc12
InChIInChI=1S/C18H14N2O5/c21-15-10-9-12-5-1-2-6-13(12)18(15)19-17(22)11-25-16-8-4-3-7-14(16)20(23)24/h1-10,21H,11H2,(H,19,22)
InChIKeyIYYHAVNLHMWZBE-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.47
Rot. Bonds5

About N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide

N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide (PubChem CID 8797293) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide
PubChem CID8797293
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC NameN-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1c(O)ccc2ccccc12
InChIInChI=1S/C18H14N2O5/c21-15-10-9-12-5-1-2-6-13(12)18(15)19-17(22)11-25-16-8-4-3-7-14(16)20(23)24/h1-10,21H,11H2,(H,19,22)
InChIKeyIYYHAVNLHMWZBE-UHFFFAOYSA-N
XLogP3.47
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
CID 107681256
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 4116322
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 7793934
N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
CID 39166885
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide (CID 8797293) is N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1c(O)ccc2ccccc12.
What is the InChIKey of N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is IYYHAVNLHMWZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c21-15-10-9-12-5-1-2-6-13(12)18(15)19-17(22)11-25-16-8-4-3-7-14(16)20(23)24/h1-10,21H,11H2,(H,19,22).
What are the key properties of N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide?
N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 338.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxynaphthalen-1-yl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 8797293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).