5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide

C15H22ClFN2O — CID 60706871

IUPAC5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide
SMILESCC(C)N(CCNC(=O)c1cc(Cl)ccc1F)C(C)C
InChIInChI=1S/C15H22ClFN2O/c1-10(2)19(11(3)4)8-7-18-15(20)13-9-12(16)5-6-14(13)17/h5-6,9-11H,7-8H2,1-4H3,(H,18,20)
InChIKeyXLAQWDWQACFQMU-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.33
Rot. Bonds6

About 5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide

5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide (PubChem CID 60706871) has the molecular formula C15H22ClFN2O and a molecular weight of 300.81 g/mol. Its IUPAC name is 5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide
PubChem CID60706871
Molecular FormulaC15H22ClFN2O
Molecular Weight300.81 g/mol
Exact Mass300.14
IUPAC Name5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide
SMILESCC(C)N(CCNC(=O)c1cc(Cl)ccc1F)C(C)C
InChIInChI=1S/C15H22ClFN2O/c1-10(2)19(11(3)4)8-7-18-15(20)13-9-12(16)5-6-14(13)17/h5-6,9-11H,7-8H2,1-4H3,(H,18,20)
InChIKeyXLAQWDWQACFQMU-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide
CID 55090844
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 18160814
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide
CID 34819371
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 39467305
1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32535150
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
CID 115609101

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide (CID 60706871) is 5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide is CC(C)N(CCNC(=O)c1cc(Cl)ccc1F)C(C)C.
What is the InChIKey of 5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide?
The InChIKey is XLAQWDWQACFQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-10(2)19(11(3)4)8-7-18-15(20)13-9-12(16)5-6-14(13)17/h5-6,9-11H,7-8H2,1-4H3,(H,18,20).
What are the key properties of 5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide?
5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide has a molecular weight of 300.81 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 60706871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).