4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide

C12H16ClN3O4 — CID 62162114

IUPAC4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide
SMILESCCN(CCOC)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16ClN3O4/c1-3-15(4-5-20-2)12(17)8-6-9(13)11(14)10(7-8)16(18)19/h6-7H,3-5,14H2,1-2H3
InChIKeyLWKOCNNAQYMPOI-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.94
Rot. Bonds6

About 4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide

4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide (PubChem CID 62162114) has the molecular formula C12H16ClN3O4 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide
PubChem CID62162114
Molecular FormulaC12H16ClN3O4
Molecular Weight301.73 g/mol
Exact Mass301.08
IUPAC Name4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide
SMILESCCN(CCOC)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16ClN3O4/c1-3-15(4-5-20-2)12(17)8-6-9(13)11(14)10(7-8)16(18)19/h6-7H,3-5,14H2,1-2H3
InChIKeyLWKOCNNAQYMPOI-UHFFFAOYSA-N
XLogP1.94
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-nitrobenzamide
CID 107401352
4-amino-3-chloro-N-(2-cyanopropyl)-N-ethyl-5-nitrobenzamide
CID 62186654
5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62162116
N-butyl-3,4-dichloro-N-ethyl-5-nitrobenzamide
CID 43215514
4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338016
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-nitrobenzamide
CID 79385580
methyl 3-[(3-chloro-4-nitrobenzoyl)-ethylamino]propanoate
CID 103873122
N-(2-acetamidoethyl)-4-amino-3-chloro-5-nitrobenzamide
CID 62155140
4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide
CID 55041700
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 3438034
3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
CID 61443550
4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 62154937

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide?
The IUPAC name of 4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide (CID 62162114) is 4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide.
What is the SMILES notation for 4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide?
The canonical SMILES for 4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide is CCN(CCOC)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide?
The InChIKey is LWKOCNNAQYMPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4/c1-3-15(4-5-20-2)12(17)8-6-9(13)11(14)10(7-8)16(18)19/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide?
4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide has a molecular weight of 301.73 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide is sourced from PubChem (CID 62162114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).