N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide

C19H17FN4O — CID 97062336

IUPACN-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C19H17FN4O/c20-15-7-4-13-2-1-3-18(17(13)10-15)23-19(25)14-5-8-16(9-6-14)24-11-21-22-12-24/h4-12,18H,1-3H2,(H,23,25)/t18-/m1/s1
InChIKeyAXFUNTAJQTXSEU-GOSISDBHSA-N
MW336.37 g/mol
LogP3.21
Rot. Bonds3

About N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide

N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 97062336) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID97062336
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C19H17FN4O/c20-15-7-4-13-2-1-3-18(17(13)10-15)23-19(25)14-5-8-16(9-6-14)24-11-21-22-12-24/h4-12,18H,1-3H2,(H,23,25)/t18-/m1/s1
InChIKeyAXFUNTAJQTXSEU-GOSISDBHSA-N
XLogP3.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 56782488
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95908034
N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 97256231
N-ethyl-6-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carboxamide
CID 133446444
4-piperidin-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679213
4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679214
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2683079
4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
CID 122033747
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95614509
N-[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-nitro-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide
CID 97256272
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzamide
CID 75399375

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide (CID 97062336) is N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide is O=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is AXFUNTAJQTXSEU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-7-4-13-2-1-3-18(17(13)10-15)23-19(25)14-5-8-16(9-6-14)24-11-21-22-12-24/h4-12,18H,1-3H2,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide?
N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 336.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 97062336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).