2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide

C17H17Cl2NO2 — CID 16580047

IUPAC2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-3-22-14-7-4-12(5-8-14)11(2)20-17(21)15-10-13(18)6-9-16(15)19/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyUOHRSFNHARGKFQ-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.88
Rot. Bonds5

About 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide

2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide (PubChem CID 16580047) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
PubChem CID16580047
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-3-22-14-7-4-12(5-8-14)11(2)20-17(21)15-10-13(18)6-9-16(15)19/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyUOHRSFNHARGKFQ-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-nitrobenzamide
CID 46763777
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 94026989
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 43888799
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044686
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide (CID 16580047) is 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide is CCOc1ccc(C(C)NC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide?
The InChIKey is UOHRSFNHARGKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-3-22-14-7-4-12(5-8-14)11(2)20-17(21)15-10-13(18)6-9-16(15)19/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide?
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide has a molecular weight of 338.23 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 16580047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).