5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide

C17H15FN2O2 — CID 71488522

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IUPAC5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide
SMILESCNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cc1
InChIInChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21)
InChIKeyROBJKLPZIPNAMV-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.06
Rot. Bonds4

About 5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide

5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide (PubChem CID 71488522) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide
PubChem CID71488522
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide
SMILESCNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cc1
InChIInChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21)
InChIKeyROBJKLPZIPNAMV-UHFFFAOYSA-N
XLogP3.06
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468653
3-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275424
(E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 127051177
2-(4-fluorophenyl)-N-methyl-5-[3-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 53468460
5-[3-[tert-butyl(methyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468654
5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468850
4-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275156
2-(4-fluorophenyl)-N-methyl-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275174
5-[4-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275280
5-[3-(ethylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275345
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275443
2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275461

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide?
The IUPAC name of 5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide (CID 71488522) is 5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide is CNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cc1.
What is the InChIKey of 5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide?
The InChIKey is ROBJKLPZIPNAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21).
What are the key properties of 5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide?
5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 71488522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).