N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide

C17H18FN3O2 — CID 113055172

IUPACN-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)Cc1ccccn1
InChIInChI=1S/C17H18FN3O2/c1-13(22)21(12-16-7-2-3-8-19-16)10-9-20-17(23)14-5-4-6-15(18)11-14/h2-8,11H,9-10,12H2,1H3,(H,20,23)
InChIKeyNNGQVZXXBMAQDE-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.00
Rot. Bonds6

About N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide

N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide (PubChem CID 113055172) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide
PubChem CID113055172
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)Cc1ccccn1
InChIInChI=1S/C17H18FN3O2/c1-13(22)21(12-16-7-2-3-8-19-16)10-9-20-17(23)14-5-4-6-15(18)11-14/h2-8,11H,9-10,12H2,1H3,(H,20,23)
InChIKeyNNGQVZXXBMAQDE-UHFFFAOYSA-N
XLogP2.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055209
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
CID 113063161
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113055158
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 113055189
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide
CID 113057065
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide (CID 113055172) is N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide is CC(=O)N(CCNC(=O)c1cccc(F)c1)Cc1ccccn1.
What is the InChIKey of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide?
The InChIKey is NNGQVZXXBMAQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-13(22)21(12-16-7-2-3-8-19-16)10-9-20-17(23)14-5-4-6-15(18)11-14/h2-8,11H,9-10,12H2,1H3,(H,20,23).
What are the key properties of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide?
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide has a molecular weight of 315.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 113055172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).