N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C22H25FN2O2 — CID 55854007

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)Cc1cccc(CNC(=O)c2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C22H25FN2O2/c1-4-25(5-2)14-17-8-6-7-16(11-17)13-24-22(26)21-15(3)19-12-18(23)9-10-20(19)27-21/h6-12H,4-5,13-14H2,1-3H3,(H,24,26)
InChIKeyIIFNOSYHPIYSIB-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.65
Rot. Bonds7

About N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55854007) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55854007
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)Cc1cccc(CNC(=O)c2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C22H25FN2O2/c1-4-25(5-2)14-17-8-6-7-16(11-17)13-24-22(26)21-15(3)19-12-18(23)9-10-20(19)27-21/h6-12H,4-5,13-14H2,1-3H3,(H,24,26)
InChIKeyIIFNOSYHPIYSIB-UHFFFAOYSA-N
XLogP4.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8948017
5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 42018104
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78902086
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 7709216
N-[3-(diethylaminomethyl)phenyl]-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide
CID 86881180
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 92600014
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8531491
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468905
methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 61383254

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 55854007) is N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is CCN(CC)Cc1cccc(CNC(=O)c2oc3ccc(F)cc3c2C)c1.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IIFNOSYHPIYSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-4-25(5-2)14-17-8-6-7-16(11-17)13-24-22(26)21-15(3)19-12-18(23)9-10-20(19)27-21/h6-12H,4-5,13-14H2,1-3H3,(H,24,26).
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55854007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).