2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide

C17H17FN2O3 — CID 38403308

IUPAC2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C17H17FN2O3/c1-19-16(21)9-11-3-5-12(6-4-11)20-17(22)14-8-7-13(23-2)10-15(14)18/h3-8,10H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGSVUJQODYDYQTM-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.38
Rot. Bonds5

About 2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide

2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide (PubChem CID 38403308) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
PubChem CID38403308
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C17H17FN2O3/c1-19-16(21)9-11-3-5-12(6-4-11)20-17(22)14-8-7-13(23-2)10-15(14)18/h3-8,10H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGSVUJQODYDYQTM-UHFFFAOYSA-N
XLogP2.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38401851
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
CID 87019008
2-fluoro-N-[4-[3-(4-methoxyphenyl)-2-oxopropyl]phenyl]benzamide
CID 58422785
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864
2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364807
N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885170
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
6-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indole-2-carboxamide
CID 36545679
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide (CID 38403308) is 2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide is CNC(=O)Cc1ccc(NC(=O)c2ccc(OC)cc2F)cc1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The InChIKey is GSVUJQODYDYQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-19-16(21)9-11-3-5-12(6-4-11)20-17(22)14-8-7-13(23-2)10-15(14)18/h3-8,10H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide has a molecular weight of 316.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 38403308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).