N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide

C18H21ClN2O2 — CID 47081813

IUPACN-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide
SMILESCCN(C)c1ccc(C(=O)NCCOc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-3-21(2)16-9-7-14(8-10-16)18(22)20-11-12-23-17-6-4-5-15(19)13-17/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyVUHABKBXEFZYSY-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.60
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide

N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide (PubChem CID 47081813) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide
PubChem CID47081813
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide
SMILESCCN(C)c1ccc(C(=O)NCCOc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-3-21(2)16-9-7-14(8-10-16)18(22)20-11-12-23-17-6-4-5-15(19)13-17/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyVUHABKBXEFZYSY-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 112970850
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 55724790
3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
CID 113100237
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
CID 113102716
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903815
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide (CID 47081813) is N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide is CCN(C)c1ccc(C(=O)NCCOc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide?
The InChIKey is VUHABKBXEFZYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-21(2)16-9-7-14(8-10-16)18(22)20-11-12-23-17-6-4-5-15(19)13-17/h4-10,13H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide?
N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide has a molecular weight of 332.83 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide is sourced from PubChem (CID 47081813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).