N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

C17H15Br3N4O4 — CID 6229195

IUPACN-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)COc2c(Br)cc(Br)cc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C17H15Br3N4O4/c1-23(2)14-4-3-10(5-15(14)24(26)27)8-21-22-16(25)9-28-17-12(19)6-11(18)7-13(17)20/h3-8H,9H2,1-2H3,(H,22,25)/b21-8-
InChIKeyWMRGHPLKGJFBDA-WNFQYIGGSA-N
MW579.04 g/mol
LogP4.48
Rot. Bonds7

About N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide (PubChem CID 6229195) has the molecular formula C17H15Br3N4O4 and a molecular weight of 579.04 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
PubChem CID6229195
Molecular FormulaC17H15Br3N4O4
Molecular Weight579.04 g/mol
Exact Mass575.86
IUPAC NameN-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)COc2c(Br)cc(Br)cc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C17H15Br3N4O4/c1-23(2)14-4-3-10(5-15(14)24(26)27)8-21-22-16(25)9-28-17-12(19)6-11(18)7-13(17)20/h3-8H,9H2,1-2H3,(H,22,25)/b21-8-
InChIKeyWMRGHPLKGJFBDA-WNFQYIGGSA-N
XLogP4.48
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.04
LogP ≤ 54.48
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-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 3823669
2-(4-chlorophenoxy)-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]acetamide
CID 9257149
N-[(E)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 16760828
2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9016525
N'-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5222623
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6885676
N'-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-N-(3,4-dimethylphenyl)propanediamide
CID 3466247
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 135679327
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 25247253
N-[[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5235001
N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 2883540
[3-[[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 2852890

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The IUPAC name of N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide (CID 6229195) is N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is CN(C)c1ccc(/C=N\NC(=O)COc2c(Br)cc(Br)cc2Br)cc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The InChIKey is WMRGHPLKGJFBDA-WNFQYIGGSA-N. The full InChI is InChI=1S/C17H15Br3N4O4/c1-23(2)14-4-3-10(5-15(14)24(26)27)8-21-22-16(25)9-28-17-12(19)6-11(18)7-13(17)20/h3-8H,9H2,1-2H3,(H,22,25)/b21-8-.
What are the key properties of N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide has a molecular weight of 579.04 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is sourced from PubChem (CID 6229195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).