N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide

C18H19N3O3 — CID 3285738

IUPACN-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
SMILESCC(=NNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H19N3O3/c1-11-5-7-16(12(2)9-11)14(4)19-20-18(22)15-6-8-17(21(23)24)13(3)10-15/h5-10H,1-4H3,(H,20,22)
InChIKeyWZHJLBHXZJYORN-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.67
Rot. Bonds4

About N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide

N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide (PubChem CID 3285738) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
PubChem CID3285738
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
SMILESCC(=NNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H19N3O3/c1-11-5-7-16(12(2)9-11)14(4)19-20-18(22)15-6-8-17(21(23)24)13(3)10-15/h5-10H,1-4H3,(H,20,22)
InChIKeyWZHJLBHXZJYORN-UHFFFAOYSA-N
XLogP3.67
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 135607544
N-[1-(4-bromophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4538116
N-[1-(4-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4667639
3-methyl-N-(1-naphthalen-2-ylethylideneamino)-4-nitrobenzamide
CID 5109647
N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 19685688
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 135683419
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 6307189
N-[1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 5227167
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3627864
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide (CID 3285738) is N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide is CC(=NNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide?
The InChIKey is WZHJLBHXZJYORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-5-7-16(12(2)9-11)14(4)19-20-18(22)15-6-8-17(21(23)24)13(3)10-15/h5-10H,1-4H3,(H,20,22).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide?
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide has a molecular weight of 325.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 3285738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).