methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate

C16H14N2O6 — CID 717213

IUPACmethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O6/c1-23-16(20)11-6-2-3-7-12(11)17-15(19)10-24-14-9-5-4-8-13(14)18(21)22/h2-9H,10H2,1H3,(H,17,19)
InChIKeyIHUDHHYDTDVMPJ-UHFFFAOYSA-N
MW330.30 g/mol
LogP2.40
Rot. Bonds6

About methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate

methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate (PubChem CID 717213) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
PubChem CID717213
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Namemethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O6/c1-23-16(20)11-6-2-3-7-12(11)17-15(19)10-24-14-9-5-4-8-13(14)18(21)22/h2-9H,10H2,1H3,(H,17,19)
InChIKeyIHUDHHYDTDVMPJ-UHFFFAOYSA-N
XLogP2.40
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
2-nitro-N-(2-phenoxyethyl)benzamide
CID 2253073
N-(2-methoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 776606
methyl 4-[(Z)-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzoate
CID 24762081
N-(4-methoxyphenyl)-2-nitrobenzamide
CID 789287
2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic Acid
CID 882926
2-(2-(4-Tert-butylphenoxy)acetamido)benzoic acid
CID 4268702
5-Nitro-2-[(3-octoxybenzoyl)amino]benzoic acid
CID 90213209
4-Chloro-2-{[(2-nitrophenoxy)acetyl]amino}benzoic acid
CID 976704
7-Nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
CID 1475156
4-Methoxy-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester
CID 2338070
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1250240

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate (CID 717213) is methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate?
The InChIKey is IHUDHHYDTDVMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-23-16(20)11-6-2-3-7-12(11)17-15(19)10-24-14-9-5-4-8-13(14)18(21)22/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate?
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate has a molecular weight of 330.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 717213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).