3-amino-4-chloro-N-(2-ethoxyethyl)benzamide

C11H15ClN2O2 — CID 43590642

IUPAC3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
SMILESCCOCCNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H15ClN2O2/c1-2-16-6-5-14-11(15)8-3-4-9(12)10(13)7-8/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeySQYISNFDVXYCPH-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.69
Rot. Bonds5

About 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide

3-amino-4-chloro-N-(2-ethoxyethyl)benzamide (PubChem CID 43590642) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
PubChem CID43590642
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
SMILESCCOCCNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H15ClN2O2/c1-2-16-6-5-14-11(15)8-3-4-9(12)10(13)7-8/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeySQYISNFDVXYCPH-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide 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

3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 55097987
3-amino-N-(2-butoxyethyl)-4-methylbenzamide
CID 61169083
3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide
CID 82546388
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
3-amino-4-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326613
3-amino-4-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179688
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
CID 106233433

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide (CID 43590642) is 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide is CCOCCNC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide?
The InChIKey is SQYISNFDVXYCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-16-6-5-14-11(15)8-3-4-9(12)10(13)7-8/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide?
3-amino-4-chloro-N-(2-ethoxyethyl)benzamide has a molecular weight of 242.71 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-ethoxyethyl)benzamide is sourced from PubChem (CID 43590642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).