4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide

C11H12ClN3O4 — CID 9224325

IUPAC4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide
SMILESCCNC(=O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O4/c1-2-13-10(16)6-14-11(17)8-4-3-7(12)5-9(8)15(18)19/h3-5H,2,6H2,1H3,(H,13,16)(H,14,17)
InChIKeyFPTPZHHHSDHQAA-UHFFFAOYSA-N
MW285.69 g/mol
LogP1.11
Rot. Bonds5

About 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide

4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide (PubChem CID 9224325) has the molecular formula C11H12ClN3O4 and a molecular weight of 285.69 g/mol. Its IUPAC name is 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide
PubChem CID9224325
Molecular FormulaC11H12ClN3O4
Molecular Weight285.69 g/mol
Exact Mass285.05
IUPAC Name4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide
SMILESCCNC(=O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O4/c1-2-13-10(16)6-14-11(17)8-4-3-7(12)5-9(8)15(18)19/h3-5H,2,6H2,1H3,(H,13,16)(H,14,17)
InChIKeyFPTPZHHHSDHQAA-UHFFFAOYSA-N
XLogP1.11
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 51.11
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'}

Analyze 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3-methyl-2-oxobutyl)-2-nitrobenzamide
CID 64996640
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
4-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 119500583
4-chloro-N-[2-methyl-3-(methylamino)propyl]-2-nitrobenzamide
CID 81479371
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62241216
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 18145715
N-butan-2-yl-4-chloro-2-nitrobenzamide
CID 4080070
N-[2-(ethylamino)-2-oxoethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9489366
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 114758174
4-chloro-N-[2-(diethylamino)-3-methylbutyl]-2-nitrobenzamide
CID 43074952
4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174
methyl 2-bromo-3-[(4-chloro-2-nitrobenzoyl)amino]propanoate
CID 103492644

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide (CID 9224325) is 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide is CCNC(=O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide?
The InChIKey is FPTPZHHHSDHQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4/c1-2-13-10(16)6-14-11(17)8-4-3-7(12)5-9(8)15(18)19/h3-5H,2,6H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide?
4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide has a molecular weight of 285.69 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide is sourced from PubChem (CID 9224325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).