phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate

C21H16N2O7 — CID 1185799

IUPACphenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
InChIInChI=1S/C21H16N2O7/c24-18-12-14(10-11-16(18)21(26)30-15-6-2-1-3-7-15)22-20(25)13-29-19-9-5-4-8-17(19)23(27)28/h1-12,24H,13H2,(H,22,25)
InChIKeyWJFYEOQVGRJGIK-UHFFFAOYSA-N
MW408.37 g/mol
LogP3.54
Rot. Bonds7

About phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate

phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate (PubChem CID 1185799) has the molecular formula C21H16N2O7 and a molecular weight of 408.37 g/mol. Its IUPAC name is phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namephenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
PubChem CID1185799
Molecular FormulaC21H16N2O7
Molecular Weight408.37 g/mol
Exact Mass408.10
IUPAC Namephenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
InChIInChI=1S/C21H16N2O7/c24-18-12-14(10-11-16(18)21(26)30-15-6-2-1-3-7-15)22-20(25)13-29-19-9-5-4-8-17(19)23(27)28/h1-12,24H,13H2,(H,22,25)
InChIKeyWJFYEOQVGRJGIK-UHFFFAOYSA-N
XLogP3.54
TPSA128.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate
CID 19165351
phenyl 4-[[2-(3-bromophenoxy)acetyl]amino]-2-hydroxybenzoate
CID 19171429
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288
ethyl 3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717219
2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130922

Frequently Asked Questions

What is the IUPAC name of phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate?
The IUPAC name of phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate (CID 1185799) is phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate?
The canonical SMILES for phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate is O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)Oc2ccccc2)c(O)c1.
What is the InChIKey of phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate?
The InChIKey is WJFYEOQVGRJGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O7/c24-18-12-14(10-11-16(18)21(26)30-15-6-2-1-3-7-15)22-20(25)13-29-19-9-5-4-8-17(19)23(27)28/h1-12,24H,13H2,(H,22,25).
What are the key properties of phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate?
phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate has a molecular weight of 408.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 1185799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).