5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide

C12H16ClN3O3 — CID 62641303

IUPAC5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide
SMILESCCN(C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H16ClN3O3/c1-3-15(2)7-6-14-12(17)10-8-9(13)4-5-11(10)16(18)19/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyAPGZGULAZRSFNR-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.93
Rot. Bonds6

About 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide

5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide (PubChem CID 62641303) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide
PubChem CID62641303
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide
SMILESCCN(C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H16ClN3O3/c1-3-15(2)7-6-14-12(17)10-8-9(13)4-5-11(10)16(18)19/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyAPGZGULAZRSFNR-UHFFFAOYSA-N
XLogP1.93
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.93
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

5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide
CID 55090844
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
5-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-nitrobenzamide
CID 60526996
5-chloro-N-decyl-2-nitrobenzamide
CID 4113586
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634790
5-chloro-N-(3-chloropentyl)-2-nitrobenzamide
CID 113497920
5-chloro-N-(3-chlorobutyl)-2-nitrobenzamide
CID 113272743
2-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62636223
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-nitrobenzamide
CID 60629816
5-chloro-N-(4-methylsulfanylbutyl)-2-nitrobenzamide
CID 115635860
5-chloro-N-methyl-2-nitro-N-propylbenzamide
CID 43271301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide (CID 62641303) is 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide is CCN(C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide?
The InChIKey is APGZGULAZRSFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-3-15(2)7-6-14-12(17)10-8-9(13)4-5-11(10)16(18)19/h4-5,8H,3,6-7H2,1-2H3,(H,14,17).
What are the key properties of 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide?
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide has a molecular weight of 285.73 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide is sourced from PubChem (CID 62641303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).