2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide

C15H11Cl2N3O4 — CID 126225216

IUPAC2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide
SMILESNC(=O)COc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C15H11Cl2N3O4/c16-12-5-9(6-13(17)15(12)24-8-14(18)21)7-19-10-1-3-11(4-2-10)20(22)23/h1-7H,8H2,(H2,18,21)/b19-7+
InChIKeyMIEIPKLHARBCDI-FBCYGCLPSA-N
MW368.18 g/mol
LogP3.52
Rot. Bonds6

About 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide

2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide (PubChem CID 126225216) has the molecular formula C15H11Cl2N3O4 and a molecular weight of 368.18 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide
PubChem CID126225216
Molecular FormulaC15H11Cl2N3O4
Molecular Weight368.18 g/mol
Exact Mass367.01
IUPAC Name2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide
SMILESNC(=O)COc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C15H11Cl2N3O4/c16-12-5-9(6-13(17)15(12)24-8-14(18)21)7-19-10-1-3-11(4-2-10)20(22)23/h1-7H,8H2,(H2,18,21)/b19-7+
InChIKeyMIEIPKLHARBCDI-FBCYGCLPSA-N
XLogP3.52
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide
CID 126232825
1-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-N-(4-nitrophenyl)methanimine
CID 126053218
2-[2-chloro-6-methoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126051170
1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208356
[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenyl] benzenesulfonate
CID 126072907
(E)-3-[4-(2-amino-2-oxoethoxy)-3,5-dichlorophenyl]-2-cyano-N-(3-nitrophenyl)prop-2-enamide
CID 126229036
2-[2-bromo-6-methoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 126224623
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
N-(3-chloro-2-methylphenyl)-1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126208858
2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 1018512
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
1-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126216053

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide?
The IUPAC name of 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide (CID 126225216) is 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide?
The canonical SMILES for 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide is NC(=O)COc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl.
What is the InChIKey of 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide?
The InChIKey is MIEIPKLHARBCDI-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4/c16-12-5-9(6-13(17)15(12)24-8-14(18)21)7-19-10-1-3-11(4-2-10)20(22)23/h1-7H,8H2,(H2,18,21)/b19-7+.
What are the key properties of 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide?
2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide has a molecular weight of 368.18 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 126225216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).