N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide

C18H21FN2O3 — CID 87006864

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)c(F)c1
InChIInChI=1S/C18H21FN2O3/c1-21(2)10-11-24-14-6-4-13(5-7-14)20-18(22)16-9-8-15(23-3)12-17(16)19/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyCEEMROSVEOUZDB-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.03
Rot. Bonds7

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide (PubChem CID 87006864) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
PubChem CID87006864
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)c(F)c1
InChIInChI=1S/C18H21FN2O3/c1-21(2)10-11-24-14-6-4-13(5-7-14)20-18(22)16-9-8-15(23-3)12-17(16)19/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyCEEMROSVEOUZDB-UHFFFAOYSA-N
XLogP3.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234
2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 87026628
2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38403308
2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
CID 86981158
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17340482
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide (CID 87006864) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)c(F)c1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is CEEMROSVEOUZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-21(2)10-11-24-14-6-4-13(5-7-14)20-18(22)16-9-8-15(23-3)12-17(16)19/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 332.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 87006864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).