(2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate

C17H14ClN3O6 — CID 7877303

IUPAC(2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1
InChIInChI=1S/C17H14ClN3O6/c18-13-7-6-11(8-14(13)21(25)26)17(24)19-9-16(23)27-10-15(22)20-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,24)(H,20,22)
InChIKeyLGVNJEYDRULFLJ-UHFFFAOYSA-N
MW391.77 g/mol
LogP2.16
Rot. Bonds7

About (2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate

(2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate (PubChem CID 7877303) has the molecular formula C17H14ClN3O6 and a molecular weight of 391.77 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
PubChem CID7877303
Molecular FormulaC17H14ClN3O6
Molecular Weight391.77 g/mol
Exact Mass391.06
IUPAC Name(2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1
InChIInChI=1S/C17H14ClN3O6/c18-13-7-6-11(8-14(13)21(25)26)17(24)19-9-16(23)27-10-15(22)20-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,24)(H,20,22)
InChIKeyLGVNJEYDRULFLJ-UHFFFAOYSA-N
XLogP2.16
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.77
LogP ≤ 52.16
H-Bond Donors ≤ 52
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

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29310803
[2-(3-methylanilino)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 7877296
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29335268
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29335277
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29335306
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661556
2-methylprop-2-enyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 18285898
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 2481072
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29310712
[2-(diethylamino)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 7877103
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 27013135
[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 4856745

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate (CID 7877303) is (2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate?
The InChIKey is LGVNJEYDRULFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O6/c18-13-7-6-11(8-14(13)21(25)26)17(24)19-9-16(23)27-10-15(22)20-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,24)(H,20,22).
What are the key properties of (2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate?
(2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate has a molecular weight of 391.77 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate is sourced from PubChem (CID 7877303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).