2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide

C16H17ClN2O2 — CID 81144706

IUPAC2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
SMILESCCNCc1ccc(Oc2ccccc2C(N)=O)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-19-10-11-7-8-15(13(17)9-11)21-14-6-4-3-5-12(14)16(18)20/h3-9,19H,2,10H2,1H3,(H2,18,20)
InChIKeyOEUNTKDJBVALQM-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.34
Rot. Bonds6

About 2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide

2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide (PubChem CID 81144706) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide.

Molecular Properties

Compound Name2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
PubChem CID81144706
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
SMILESCCNCc1ccc(Oc2ccccc2C(N)=O)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-19-10-11-7-8-15(13(17)9-11)21-14-6-4-3-5-12(14)16(18)20/h3-9,19H,2,10H2,1H3,(H2,18,20)
InChIKeyOEUNTKDJBVALQM-UHFFFAOYSA-N
XLogP3.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
2-(4-carbamothioyl-2-chlorophenoxy)benzamide
CID 63088987
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide
CID 55132192
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
2-[3-chloro-2-(methylaminomethyl)phenoxy]benzamide
CID 43282446
2-(2-chloro-4-nitrophenoxy)benzamide
CID 9251332
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide?
The IUPAC name of 2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide (CID 81144706) is 2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide.
What is the SMILES notation for 2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide?
The canonical SMILES for 2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide is CCNCc1ccc(Oc2ccccc2C(N)=O)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide?
The InChIKey is OEUNTKDJBVALQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-19-10-11-7-8-15(13(17)9-11)21-14-6-4-3-5-12(14)16(18)20/h3-9,19H,2,10H2,1H3,(H2,18,20).
What are the key properties of 2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide?
2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide is sourced from PubChem (CID 81144706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).