N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide

C16H17N3O3 — CID 25395219

IUPACN-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
SMILESCN(CCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H17N3O3/c1-18(13-7-3-2-4-8-13)12-11-17-16(20)14-9-5-6-10-15(14)19(21)22/h2-10H,11-12H2,1H3,(H,17,20)
InChIKeySKNJHRIZVJMALP-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.46
Rot. Bonds6

About N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide

N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide (PubChem CID 25395219) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
PubChem CID25395219
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
SMILESCN(CCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H17N3O3/c1-18(13-7-3-2-4-8-13)12-11-17-16(20)14-9-5-6-10-15(14)19(21)22/h2-10H,11-12H2,1H3,(H,17,20)
InChIKeySKNJHRIZVJMALP-UHFFFAOYSA-N
XLogP2.46
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848
N-[2-(diethylamino)ethyl]-2-nitrobenzamide
CID 15943
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
CID 16889417
N-[3-(diethylamino)propyl]-2-nitrobenzamide
CID 3286089
3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 24552848
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
3-hydroxy-3-methyl-4-[(2-nitrobenzoyl)amino]butanoic acid
CID 66003127
2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 103852994
2-ethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395275
N-(3-iodopropyl)-2-nitrobenzamide
CID 114504241

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide (CID 25395219) is N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide is CN(CCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide?
The InChIKey is SKNJHRIZVJMALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-18(13-7-3-2-4-8-13)12-11-17-16(20)14-9-5-6-10-15(14)19(21)22/h2-10H,11-12H2,1H3,(H,17,20).
What are the key properties of N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide?
N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide has a molecular weight of 299.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide is sourced from PubChem (CID 25395219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).