2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide

C19H23ClN2O2 — CID 119505661

IUPAC2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O2/c1-2-21-9-10-22-19(23)13-15-5-4-8-18(12-15)24-14-16-6-3-7-17(20)11-16/h3-8,11-12,21H,2,9-10,13-14H2,1H3,(H,22,23)
InChIKeyBUAFOSQHNCGDRZ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.19
Rot. Bonds9

About 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide

2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide (PubChem CID 119505661) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide
PubChem CID119505661
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O2/c1-2-21-9-10-22-19(23)13-15-5-4-8-18(12-15)24-14-16-6-3-7-17(20)11-16/h3-8,11-12,21H,2,9-10,13-14H2,1H3,(H,22,23)
InChIKeyBUAFOSQHNCGDRZ-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506352
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
CID 119405733
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534430
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
1-(3-chlorophenyl)-4-(ethylamino)butan-2-one
CID 116565791
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
1-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 60881758

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide?
The IUPAC name of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide (CID 119505661) is 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide is CCNCCNC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide?
The InChIKey is BUAFOSQHNCGDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-2-21-9-10-22-19(23)13-15-5-4-8-18(12-15)24-14-16-6-3-7-17(20)11-16/h3-8,11-12,21H,2,9-10,13-14H2,1H3,(H,22,23).
What are the key properties of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide?
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide is sourced from PubChem (CID 119505661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).