N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide

C11H12ClN3O5 — CID 103819811

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide
SMILESNC(=O)COCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O5/c12-8-3-1-2-7(10(8)15(18)19)11(17)14-4-5-20-6-9(13)16/h1-3H,4-6H2,(H2,13,16)(H,14,17)
InChIKeyQASWBJRDQOPHJW-UHFFFAOYSA-N
MW301.69 g/mol
LogP0.48
Rot. Bonds7

About N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide (PubChem CID 103819811) has the molecular formula C11H12ClN3O5 and a molecular weight of 301.69 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide
PubChem CID103819811
Molecular FormulaC11H12ClN3O5
Molecular Weight301.69 g/mol
Exact Mass301.05
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide
SMILESNC(=O)COCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O5/c12-8-3-1-2-7(10(8)15(18)19)11(17)14-4-5-20-6-9(13)16/h1-3H,4-6H2,(H2,13,16)(H,14,17)
InChIKeyQASWBJRDQOPHJW-UHFFFAOYSA-N
XLogP0.48
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide
CID 103767889
3-chloro-N-(3-methoxypropyl)-2-nitrobenzamide
CID 79820999
3-chloro-N-(5-methoxypentyl)-2-nitrobenzamide
CID 103736031
3-chloro-N-(2-methylsulfinylethyl)-2-nitrobenzamide
CID 113251513
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-4-nitrobenzamide
CID 104864836
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-6-chlorobenzamide
CID 106233283
3-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzamide
CID 115548691
N-[2-(2-bromoethoxy)ethyl]-3-methyl-2-nitrobenzamide
CID 114309493
methyl 3-[(3-chloro-2-nitrobenzoyl)amino]-2-hydroxypropanoate
CID 103958033
3-chloro-N-(2-methylpropyl)-2-nitrobenzamide
CID 79821508
3-chloro-N-(cyclobutylmethyl)-2-nitrobenzamide
CID 79831189
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-bromo-5-nitrobenzamide
CID 106235460

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide (CID 103819811) is N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide is NC(=O)COCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide?
The InChIKey is QASWBJRDQOPHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O5/c12-8-3-1-2-7(10(8)15(18)19)11(17)14-4-5-20-6-9(13)16/h1-3H,4-6H2,(H2,13,16)(H,14,17).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide has a molecular weight of 301.69 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide is sourced from PubChem (CID 103819811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).