2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide

C18H16ClN3O6 — CID 24534004

IUPAC2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16ClN3O6/c1-10(23)12-3-6-15(20-11(2)24)17(7-12)28-9-18(25)21-13-4-5-14(19)16(8-13)22(26)27/h3-8H,9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyQCGRFFIOAKCFHX-UHFFFAOYSA-N
MW405.79 g/mol
LogP3.43
Rot. Bonds7

About 2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide

2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide (PubChem CID 24534004) has the molecular formula C18H16ClN3O6 and a molecular weight of 405.79 g/mol. Its IUPAC name is 2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
PubChem CID24534004
Molecular FormulaC18H16ClN3O6
Molecular Weight405.79 g/mol
Exact Mass405.07
IUPAC Name2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16ClN3O6/c1-10(23)12-3-6-15(20-11(2)24)17(7-12)28-9-18(25)21-13-4-5-14(19)16(8-13)22(26)27/h3-8H,9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyQCGRFFIOAKCFHX-UHFFFAOYSA-N
XLogP3.43
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.79
LogP ≤ 53.43
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-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide
CID 24533995
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 19202492
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
N-(4-chloro-3-nitrophenyl)-2-(2,4-dipentylphenoxy)acetamide
CID 3511506
N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide
CID 103606725
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
CID 19173108
2-(2-acetamido-5-acetylphenoxy)-N-(3-fluorophenyl)acetamide
CID 24534011
N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237257

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide (CID 24534004) is 2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide is CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
The InChIKey is QCGRFFIOAKCFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O6/c1-10(23)12-3-6-15(20-11(2)24)17(7-12)28-9-18(25)21-13-4-5-14(19)16(8-13)22(26)27/h3-8H,9H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide?
2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide has a molecular weight of 405.79 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide is sourced from PubChem (CID 24534004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).