N-ethyl-2-(ethylamino)-5-nitrobenzamide

C11H15N3O3 — CID 55042507

IUPACN-ethyl-2-(ethylamino)-5-nitrobenzamide
SMILESCCNC(=O)c1cc([N+](=O)[O-])ccc1NCC
InChIInChI=1S/C11H15N3O3/c1-3-12-10-6-5-8(14(16)17)7-9(10)11(15)13-4-2/h5-7,12H,3-4H2,1-2H3,(H,13,15)
InChIKeyKKFQIALGRXITHQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.78
Rot. Bonds5

About N-ethyl-2-(ethylamino)-5-nitrobenzamide

N-ethyl-2-(ethylamino)-5-nitrobenzamide (PubChem CID 55042507) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-ethyl-2-(ethylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylamino)-5-nitrobenzamide
PubChem CID55042507
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-ethyl-2-(ethylamino)-5-nitrobenzamide
SMILESCCNC(=O)c1cc([N+](=O)[O-])ccc1NCC
InChIInChI=1S/C11H15N3O3/c1-3-12-10-6-5-8(14(16)17)7-9(10)11(15)13-4-2/h5-7,12H,3-4H2,1-2H3,(H,13,15)
InChIKeyKKFQIALGRXITHQ-UHFFFAOYSA-N
XLogP1.78
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
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

2-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961456
2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62175476
2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
CID 62181755
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
CID 62167944
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
CID 62170102
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436
2-(ethylamino)-N-(1-methylpyrazol-4-yl)-5-nitrobenzamide
CID 62169195
[2-(ethylamino)-5-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 62171291
2-(2,4-dinitroanilino)-N-ethylbenzamide
CID 4949475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylamino)-5-nitrobenzamide?
The IUPAC name of N-ethyl-2-(ethylamino)-5-nitrobenzamide (CID 55042507) is N-ethyl-2-(ethylamino)-5-nitrobenzamide.
What is the SMILES notation for N-ethyl-2-(ethylamino)-5-nitrobenzamide?
The canonical SMILES for N-ethyl-2-(ethylamino)-5-nitrobenzamide is CCNC(=O)c1cc([N+](=O)[O-])ccc1NCC.
What is the InChIKey of N-ethyl-2-(ethylamino)-5-nitrobenzamide?
The InChIKey is KKFQIALGRXITHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-12-10-6-5-8(14(16)17)7-9(10)11(15)13-4-2/h5-7,12H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-2-(ethylamino)-5-nitrobenzamide?
N-ethyl-2-(ethylamino)-5-nitrobenzamide has a molecular weight of 237.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylamino)-5-nitrobenzamide is sourced from PubChem (CID 55042507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).