2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide

C17H16ClFN2O3 — CID 33255433

IUPAC2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-2-20-15(22)10-24-12-8-6-11(7-9-12)21-17(23)16-13(18)4-3-5-14(16)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyXWBZOMGVAASDSR-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.25
Rot. Bonds6

About 2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide

2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide (PubChem CID 33255433) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide
PubChem CID33255433
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-2-20-15(22)10-24-12-8-6-11(7-9-12)21-17(23)16-13(18)4-3-5-14(16)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyXWBZOMGVAASDSR-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443
5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 33254001
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
CID 112980490
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
CID 121062127
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30859962
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide
CID 32937835
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
methyl 4-[4-[(2-chloro-6-fluorobenzoyl)amino]anilino]benzoate
CID 112988576
ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 113000785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide (CID 33255433) is 2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide is CCNC(=O)COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide?
The InChIKey is XWBZOMGVAASDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-2-20-15(22)10-24-12-8-6-11(7-9-12)21-17(23)16-13(18)4-3-5-14(16)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide?
2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide has a molecular weight of 350.78 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide is sourced from PubChem (CID 33255433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).