N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide

C17H15Cl2FN2O2 — CID 4845951

IUPACN-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c18-12-6-5-11(14(19)9-12)7-8-21-16(23)10-22-17(24)13-3-1-2-4-15(13)20/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24)
InChIKeyJLQGXAOKYWDYIU-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.22
Rot. Bonds6

About N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 4845951) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID4845951
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC NameN-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c18-12-6-5-11(14(19)9-12)7-8-21-16(23)10-22-17(24)13-3-1-2-4-15(13)20/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24)
InChIKeyJLQGXAOKYWDYIU-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,6-difluoroanilino)acetamide
CID 109007030
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide
CID 108952631
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515179
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
2,4-dichloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 9047368
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9441430
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide (CID 4845951) is N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide is O=C(CNC(=O)c1ccccc1F)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is JLQGXAOKYWDYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c18-12-6-5-11(14(19)9-12)7-8-21-16(23)10-22-17(24)13-3-1-2-4-15(13)20/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 369.22 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 4845951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).