2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide

C13H19ClN2O2 — CID 63696093

IUPAC2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
SMILESCCOCCN(CC)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O2/c1-3-16(7-8-18-4-2)13(17)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKeyGPEGHUXCTKQKML-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.42
Rot. Bonds6

About 2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide

2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide (PubChem CID 63696093) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
PubChem CID63696093
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
SMILESCCOCCN(CC)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O2/c1-3-16(7-8-18-4-2)13(17)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKeyGPEGHUXCTKQKML-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
CID 63690620
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
CID 63698396
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 61106038
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide
CID 114263936
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169
methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
CID 61109430
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
CID 104782930
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351
5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide
CID 82960004
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide?
The IUPAC name of 2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide (CID 63696093) is 2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide is CCOCCN(CC)C(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide?
The InChIKey is GPEGHUXCTKQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16(7-8-18-4-2)13(17)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8,15H2,1-2H3.
What are the key properties of 2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide?
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide has a molecular weight of 270.76 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide is sourced from PubChem (CID 63696093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).