5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C22H23FN2O2 — CID 124738471

IUPAC5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CCc2ccccc2C1
InChIInChI=1S/C22H23FN2O2/c1-13-10-18(13)21(26)25-20-9-7-16(23)12-19(20)22(27)24-17-8-6-14-4-2-3-5-15(14)11-17/h2-5,7,9,12-13,17-18H,6,8,10-11H2,1H3,(H,24,27)(H,25,26)/t13-,17+,18-/m1/s1
InChIKeyQYPFIWPJKSHAAW-JEBQAFNWSA-N
MW366.44 g/mol
LogP3.71
Rot. Bonds4

About 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 124738471) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID124738471
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CCc2ccccc2C1
InChIInChI=1S/C22H23FN2O2/c1-13-10-18(13)21(26)25-20-9-7-16(23)12-19(20)22(27)24-17-8-6-14-4-2-3-5-15(14)11-17/h2-5,7,9,12-13,17-18H,6,8,10-11H2,1H3,(H,24,27)(H,25,26)/t13-,17+,18-/m1/s1
InChIKeyQYPFIWPJKSHAAW-JEBQAFNWSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 124738471) is 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CCc2ccccc2C1.
What is the InChIKey of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is QYPFIWPJKSHAAW-JEBQAFNWSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-13-10-18(13)21(26)25-20-9-7-16(23)12-19(20)22(27)24-17-8-6-14-4-2-3-5-15(14)11-17/h2-5,7,9,12-13,17-18H,6,8,10-11H2,1H3,(H,24,27)(H,25,26)/t13-,17+,18-/m1/s1.
What are the key properties of 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 366.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 124738471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).