N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide

C20H18FN3O2 — CID 113063161

IUPACN-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1cccc2cccnc12
InChIInChI=1S/C20H18FN3O2/c1-14(25)24(18-9-3-5-15-7-4-10-22-19(15)18)12-11-23-20(26)16-6-2-8-17(21)13-16/h2-10,13H,11-12H2,1H3,(H,23,26)
InChIKeyUUNVCSFOKOCOEB-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.16
Rot. Bonds5

About N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide

N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide (PubChem CID 113063161) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
PubChem CID113063161
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1cccc2cccnc12
InChIInChI=1S/C20H18FN3O2/c1-14(25)24(18-9-3-5-15-7-4-10-22-19(15)18)12-11-23-20(26)16-6-2-8-17(21)13-16/h2-10,13H,11-12H2,1H3,(H,23,26)
InChIKeyUUNVCSFOKOCOEB-UHFFFAOYSA-N
XLogP3.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide
CID 113063169
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
CID 113063846
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide
CID 113055172
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide
CID 113063202
2-[acetyl(quinolin-8-yl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113178774
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide (CID 113063161) is N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide is CC(=O)N(CCNC(=O)c1cccc(F)c1)c1cccc2cccnc12.
What is the InChIKey of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide?
The InChIKey is UUNVCSFOKOCOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14(25)24(18-9-3-5-15-7-4-10-22-19(15)18)12-11-23-20(26)16-6-2-8-17(21)13-16/h2-10,13H,11-12H2,1H3,(H,23,26).
What are the key properties of N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide?
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide has a molecular weight of 351.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 113063161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).