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

C16H17ClN2O2 — CID 81152006

IUPAC4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
SMILESCCNCc1ccc(Oc2ccc(C(N)=O)cc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-19-10-11-3-8-15(14(17)9-11)21-13-6-4-12(5-7-13)16(18)20/h3-9,19H,2,10H2,1H3,(H2,18,20)
InChIKeyQOAJNWNFDWPJEA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.34
Rot. Bonds6

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

4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide (PubChem CID 81152006) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
PubChem CID81152006
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
SMILESCCNCc1ccc(Oc2ccc(C(N)=O)cc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-19-10-11-3-8-15(14(17)9-11)21-13-6-4-12(5-7-13)16(18)20/h3-9,19H,2,10H2,1H3,(H2,18,20)
InChIKeyQOAJNWNFDWPJEA-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-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730026
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81144706
4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide
CID 174444931
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
CID 81152008
2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide
CID 55132192
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
4-[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenoxy]benzamide
CID 68748456
4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
CID 62911692
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide?
The IUPAC name of 4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide (CID 81152006) is 4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide.
What is the SMILES notation for 4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide?
The canonical SMILES for 4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide is CCNCc1ccc(Oc2ccc(C(N)=O)cc2)c(Cl)c1.
What is the InChIKey of 4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide?
The InChIKey is QOAJNWNFDWPJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-19-10-11-3-8-15(14(17)9-11)21-13-6-4-12(5-7-13)16(18)20/h3-9,19H,2,10H2,1H3,(H2,18,20).
What are the key properties of 4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide?
4-[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 4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide is sourced from PubChem (CID 81152006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).