N-ethyl-3-(methylamino)-4-nitrobenzamide

C10H13N3O3 — CID 62683031

IUPACN-ethyl-3-(methylamino)-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(NC)c1
InChIInChI=1S/C10H13N3O3/c1-3-12-10(14)7-4-5-9(13(15)16)8(6-7)11-2/h4-6,11H,3H2,1-2H3,(H,12,14)
InChIKeyBUSVELWEZQCOCR-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.39
Rot. Bonds4

About N-ethyl-3-(methylamino)-4-nitrobenzamide

N-ethyl-3-(methylamino)-4-nitrobenzamide (PubChem CID 62683031) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-ethyl-3-(methylamino)-4-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-3-(methylamino)-4-nitrobenzamide
PubChem CID62683031
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-ethyl-3-(methylamino)-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(NC)c1
InChIInChI=1S/C10H13N3O3/c1-3-12-10(14)7-4-5-9(13(15)16)8(6-7)11-2/h4-6,11H,3H2,1-2H3,(H,12,14)
InChIKeyBUSVELWEZQCOCR-UHFFFAOYSA-N
XLogP1.39
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.39
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

N-ethyl-3-[2-(methylamino)ethylamino]-4-nitrobenzamide
CID 82988821
N-(3-amino-3-oxopropyl)-3-(methylamino)-4-nitrobenzamide
CID 55102981
3-(1,3-dihydroxypropan-2-ylamino)-N-ethyl-4-nitrobenzamide
CID 82988820
2-[5-(ethylcarbamoyl)-2-nitroanilino]propanoic acid
CID 82988342
N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide
CID 82989306
N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide
CID 82989839
N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
CID 62682663
N-ethyl-4-nitro-3-[2-(propylamino)ethylamino]benzamide
CID 82990107
N-(5-amino-5-oxopentyl)-3-(methylamino)-4-nitrobenzamide
CID 106241069
3-(methylamino)-4-nitrobenzoic acid
CID 22184623
N-ethyl-3-(3-hydroxybutylamino)-4-nitrobenzamide
CID 82988616
N-[4-(dimethylamino)butyl]-3-(methylamino)-4-nitrobenzamide
CID 62682681

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methylamino)-4-nitrobenzamide?
The IUPAC name of N-ethyl-3-(methylamino)-4-nitrobenzamide (CID 62683031) is N-ethyl-3-(methylamino)-4-nitrobenzamide.
What is the SMILES notation for N-ethyl-3-(methylamino)-4-nitrobenzamide?
The canonical SMILES for N-ethyl-3-(methylamino)-4-nitrobenzamide is CCNC(=O)c1ccc([N+](=O)[O-])c(NC)c1.
What is the InChIKey of N-ethyl-3-(methylamino)-4-nitrobenzamide?
The InChIKey is BUSVELWEZQCOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-12-10(14)7-4-5-9(13(15)16)8(6-7)11-2/h4-6,11H,3H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-3-(methylamino)-4-nitrobenzamide?
N-ethyl-3-(methylamino)-4-nitrobenzamide has a molecular weight of 223.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methylamino)-4-nitrobenzamide is sourced from PubChem (CID 62683031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).