7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide

C15H18FN3O2 — CID 9075061

IUPAC7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2CCN(C)CC2)oc2c(F)cccc12
InChIInChI=1S/C15H18FN3O2/c1-10-11-4-3-5-12(16)14(11)21-13(10)15(20)17-19-8-6-18(2)7-9-19/h3-5H,6-9H2,1-2H3,(H,17,20)
InChIKeyPCAJDBIGEZCPTR-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.77
Rot. Bonds2

About 7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide

7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide (PubChem CID 9075061) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide
PubChem CID9075061
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2CCN(C)CC2)oc2c(F)cccc12
InChIInChI=1S/C15H18FN3O2/c1-10-11-4-3-5-12(16)14(11)21-13(10)15(20)17-19-8-6-18(2)7-9-19/h3-5H,6-9H2,1-2H3,(H,17,20)
InChIKeyPCAJDBIGEZCPTR-UHFFFAOYSA-N
XLogP1.77
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
7-fluoro-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 24655002
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 9442142
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 31009311
7-fluoro-3-methyl-N-(2-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 9344647
7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide
CID 104927239
(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 42510639
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide (CID 9075061) is 7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NN2CCN(C)CC2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide?
The InChIKey is PCAJDBIGEZCPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-11-4-3-5-12(16)14(11)21-13(10)15(20)17-19-8-6-18(2)7-9-19/h3-5H,6-9H2,1-2H3,(H,17,20).
What are the key properties of 7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9075061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).