2-nitro-5-(2-phenylacetyl)benzoic acid

C15H11NO5 — CID 70152751

IUPAC2-nitro-5-(2-phenylacetyl)benzoic acid
SMILESO=C(Cc1ccccc1)c1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIInChI=1S/C15H11NO5/c17-14(8-10-4-2-1-3-5-10)11-6-7-13(16(20)21)12(9-11)15(18)19/h1-7,9H,8H2,(H,18,19)
InChIKeyBHNFZSYLTJMUII-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.72
Rot. Bonds5

About 2-nitro-5-(2-phenylacetyl)benzoic acid

2-nitro-5-(2-phenylacetyl)benzoic acid (PubChem CID 70152751) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-nitro-5-(2-phenylacetyl)benzoic acid.

Molecular Properties

Compound Name2-nitro-5-(2-phenylacetyl)benzoic acid
PubChem CID70152751
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Name2-nitro-5-(2-phenylacetyl)benzoic acid
SMILESO=C(Cc1ccccc1)c1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIInChI=1S/C15H11NO5/c17-14(8-10-4-2-1-3-5-10)11-6-7-13(16(20)21)12(9-11)15(18)19/h1-7,9H,8H2,(H,18,19)
InChIKeyBHNFZSYLTJMUII-UHFFFAOYSA-N
XLogP2.72
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-[(3-carboxy-4-nitrophenyl)methyl]-2-nitrobenzoic acid
CID 177311055
1-(3-methyl-4-nitrophenyl)-2-(4-methylphenyl)ethanone
CID 61078266
1-(3-methyl-4-nitrophenyl)-2-(3-methylphenyl)ethanone
CID 62389970
benzene;2-nitrobenzoic acid
CID 19891435
2-(2,4-dinitro-5-phenacylphenyl)-1-phenylethanone
CID 2748910
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone
CID 61079352
1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone
CID 12844789
2-nitro-5-(2-phenylmethoxyethoxy)benzoic acid
CID 12719183
2-(3-methoxy-4-nitrophenyl)-1-phenylethanone
CID 63676279
1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone
CID 65462224
3-nitro-4-[2-[(2-phenylacetyl)amino]ethyl]benzoic acid
CID 70140909
sodium;hydride;2-nitrobenzoic acid
CID 173210089

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-(2-phenylacetyl)benzoic acid?
The IUPAC name of 2-nitro-5-(2-phenylacetyl)benzoic acid (CID 70152751) is 2-nitro-5-(2-phenylacetyl)benzoic acid.
What is the SMILES notation for 2-nitro-5-(2-phenylacetyl)benzoic acid?
The canonical SMILES for 2-nitro-5-(2-phenylacetyl)benzoic acid is O=C(Cc1ccccc1)c1ccc([N+](=O)[O-])c(C(=O)O)c1.
What is the InChIKey of 2-nitro-5-(2-phenylacetyl)benzoic acid?
The InChIKey is BHNFZSYLTJMUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c17-14(8-10-4-2-1-3-5-10)11-6-7-13(16(20)21)12(9-11)15(18)19/h1-7,9H,8H2,(H,18,19).
What are the key properties of 2-nitro-5-(2-phenylacetyl)benzoic acid?
2-nitro-5-(2-phenylacetyl)benzoic acid has a molecular weight of 285.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-(2-phenylacetyl)benzoic acid is sourced from PubChem (CID 70152751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).