N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C19H17FN4O — CID 95908034

IUPACN-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N[C@H]3CCc4ccc(F)cc43)cc2)n[nH]1
InChIInChI=1S/C19H17FN4O/c1-11-21-18(24-23-11)13-2-4-14(5-3-13)19(25)22-17-9-7-12-6-8-15(20)10-16(12)17/h2-6,8,10,17H,7,9H2,1H3,(H,22,25)(H,21,23,24)/t17-/m0/s1
InChIKeyCFDGLMMUTOXOEE-KRWDZBQOSA-N
MW336.37 g/mol
LogP3.34
Rot. Bonds3

About N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 95908034) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID95908034
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N[C@H]3CCc4ccc(F)cc43)cc2)n[nH]1
InChIInChI=1S/C19H17FN4O/c1-11-21-18(24-23-11)13-2-4-14(5-3-13)19(25)22-17-9-7-12-6-8-15(20)10-16(12)17/h2-6,8,10,17H,7,9H2,1H3,(H,22,25)(H,21,23,24)/t17-/m0/s1
InChIKeyCFDGLMMUTOXOEE-KRWDZBQOSA-N
XLogP3.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 95908034) is N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(-c2ccc(C(=O)N[C@H]3CCc4ccc(F)cc43)cc2)n[nH]1.
What is the InChIKey of N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is CFDGLMMUTOXOEE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-11-21-18(24-23-11)13-2-4-14(5-3-13)19(25)22-17-9-7-12-6-8-15(20)10-16(12)17/h2-6,8,10,17H,7,9H2,1H3,(H,22,25)(H,21,23,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 336.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 95908034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).