5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide

C20H18FNO2 — CID 9344736

IUPAC5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCCc3ccccc32)oc2ccc(F)cc12
InChIInChI=1S/C20H18FNO2/c1-12-16-11-14(21)9-10-18(16)24-19(12)20(23)22-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-11,17H,4,6,8H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyILQFBKWUDNPGQP-KRWDZBQOSA-N
MW323.37 g/mol
LogP4.69
Rot. Bonds2

About 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 9344736) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
PubChem CID9344736
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCCc3ccccc32)oc2ccc(F)cc12
InChIInChI=1S/C20H18FNO2/c1-12-16-11-14(21)9-10-18(16)24-19(12)20(23)22-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-11,17H,4,6,8H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyILQFBKWUDNPGQP-KRWDZBQOSA-N
XLogP4.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
CID 3487710
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
3-(methylsulfanylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 2506003
3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 7688362
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
2-bromo-4-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9192392
5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103774296
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 24819108
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide (CID 9344736) is 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)N[C@H]2CCCc3ccccc32)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is ILQFBKWUDNPGQP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-12-16-11-14(21)9-10-18(16)24-19(12)20(23)22-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-11,17H,4,6,8H2,1H3,(H,22,23)/t17-/m0/s1.
What are the key properties of 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9344736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).