N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide

C17H15Cl2N3O5 — CID 39093599

IUPACN-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15Cl2N3O5/c1-21(9-16(23)20-11-5-6-14(18)15(19)7-11)17(24)10-27-13-4-2-3-12(8-13)22(25)26/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyATJXQMOJMCZXTK-UHFFFAOYSA-N
MW412.23 g/mol
LogP3.38
Rot. Bonds7

About N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide

N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide (PubChem CID 39093599) has the molecular formula C17H15Cl2N3O5 and a molecular weight of 412.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
PubChem CID39093599
Molecular FormulaC17H15Cl2N3O5
Molecular Weight412.23 g/mol
Exact Mass411.04
IUPAC NameN-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15Cl2N3O5/c1-21(9-16(23)20-11-5-6-14(18)15(19)7-11)17(24)10-27-13-4-2-3-12(8-13)22(25)26/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyATJXQMOJMCZXTK-UHFFFAOYSA-N
XLogP3.38
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 53.38
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-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586850
N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
CID 31680461
N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586964
N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 9012039
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 55403286
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 7718955
N-(3,4-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126274559
N-methyl-2-(3-nitrophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511055
2-(3-acetylphenoxy)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylacetamide
CID 86912235
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitrophenoxy)acetamide
CID 63929130
N-methoxy-N-methyl-2-(3-nitrophenoxy)acetamide
CID 55027939
N-(3-chloro-4-fluorophenyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]acetamide
CID 46563808

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide (CID 39093599) is N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
The InChIKey is ATJXQMOJMCZXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O5/c1-21(9-16(23)20-11-5-6-14(18)15(19)7-11)17(24)10-27-13-4-2-3-12(8-13)22(25)26/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide has a molecular weight of 412.23 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 39093599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).