N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

C16H13Cl2N3O5 — CID 1104437

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCOc1c(Cl)cc(Cl)cc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13Cl2N3O5/c1-25-16-10(6-11(17)7-12(16)18)8-19-20-15(22)9-26-14-5-3-2-4-13(14)21(23)24/h2-8H,9H2,1H3,(H,20,22)
InChIKeyKYQBTFMWSYWECC-UHFFFAOYSA-N
MW398.20 g/mol
LogP3.44
Rot. Bonds7

About N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 1104437) has the molecular formula C16H13Cl2N3O5 and a molecular weight of 398.20 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID1104437
Molecular FormulaC16H13Cl2N3O5
Molecular Weight398.20 g/mol
Exact Mass397.02
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCOc1c(Cl)cc(Cl)cc1C=NNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13Cl2N3O5/c1-25-16-10(6-11(17)7-12(16)18)8-19-20-15(22)9-26-14-5-3-2-4-13(14)21(23)24/h2-8H,9H2,1H3,(H,20,22)
InChIKeyKYQBTFMWSYWECC-UHFFFAOYSA-N
XLogP3.44
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135827890
2-(2-nitrophenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5457712
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1138089
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136773662
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136664097

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 1104437) is N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is COc1c(Cl)cc(Cl)cc1C=NNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is KYQBTFMWSYWECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O5/c1-25-16-10(6-11(17)7-12(16)18)8-19-20-15(22)9-26-14-5-3-2-4-13(14)21(23)24/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 398.20 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 1104437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).