4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate

C15H10ClN2O5- — CID 7372821

IUPAC4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1C(=O)[O-]
InChIInChI=1S/C15H11ClN2O5/c16-10-3-6-12(15(20)21)13(8-10)17-14(19)7-9-1-4-11(5-2-9)18(22)23/h1-6,8H,7H2,(H,17,19)(H,20,21)/p-1
InChIKeyZKZGSFORLVERPM-UHFFFAOYSA-M
MW333.71 g/mol
LogP1.79
Rot. Bonds5

About 4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate

4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate (PubChem CID 7372821) has the molecular formula C15H10ClN2O5- and a molecular weight of 333.71 g/mol. Its IUPAC name is 4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Name4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate
PubChem CID7372821
Molecular FormulaC15H10ClN2O5-
Molecular Weight333.71 g/mol
Exact Mass333.03
IUPAC Name4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1C(=O)[O-]
InChIInChI=1S/C15H11ClN2O5/c16-10-3-6-12(15(20)21)13(8-10)17-14(19)7-9-1-4-11(5-2-9)18(22)23/h1-6,8H,7H2,(H,17,19)(H,20,21)/p-1
InChIKeyZKZGSFORLVERPM-UHFFFAOYSA-M
XLogP1.79
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.71
LogP ≤ 51.79
H-Bond Donors ≤ 51
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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Related Compounds

N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide
CID 56535926
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934159
N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 9218215
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate?
The IUPAC name of 4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate (CID 7372821) is 4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate.
What is the SMILES notation for 4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate?
The canonical SMILES for 4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1C(=O)[O-].
What is the InChIKey of 4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate?
The InChIKey is ZKZGSFORLVERPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11ClN2O5/c16-10-3-6-12(15(20)21)13(8-10)17-14(19)7-9-1-4-11(5-2-9)18(22)23/h1-6,8H,7H2,(H,17,19)(H,20,21)/p-1.
What are the key properties of 4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate?
4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate has a molecular weight of 333.71 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate is sourced from PubChem (CID 7372821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).