5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide

C12H16ClFN2O — CID 55090844

IUPAC5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide
SMILESCCN(C)CCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2O/c1-3-16(2)7-6-15-12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyJKAOCTBTFGUMMT-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.16
Rot. Bonds5

About 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide

5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide (PubChem CID 55090844) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide
PubChem CID55090844
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide
SMILESCCN(C)CCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2O/c1-3-16(2)7-6-15-12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyJKAOCTBTFGUMMT-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634790
2-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62636223
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide
CID 62641303
5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide
CID 60706871
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide (CID 55090844) is 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide is CCN(C)CCNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide?
The InChIKey is JKAOCTBTFGUMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-3-16(2)7-6-15-12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide?
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide has a molecular weight of 258.72 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 55090844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).