4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide

C18H16FN5O2 — CID 146395147

IUPAC4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(-c3n[nH]c(=O)[nH]3)c1)C2
InChIInChI=1S/C18H16FN5O2/c1-9-5-6-13(19)12-8-14(21-15(9)12)17(25)20-11-4-2-3-10(7-11)16-22-18(26)24-23-16/h2-7,14,21H,8H2,1H3,(H,20,25)(H2,22,23,24,26)
InChIKeyXCFHMYBNSAWBSS-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.19
Rot. Bonds3

About 4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395147) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146395147
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(-c3n[nH]c(=O)[nH]3)c1)C2
InChIInChI=1S/C18H16FN5O2/c1-9-5-6-13(19)12-8-14(21-15(9)12)17(25)20-11-4-2-3-10(7-11)16-22-18(26)24-23-16/h2-7,14,21H,8H2,1H3,(H,20,25)(H2,22,23,24,26)
InChIKeyXCFHMYBNSAWBSS-UHFFFAOYSA-N
XLogP2.19
TPSA102.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394912
4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395559
4-fluoro-7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644349
4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394683
4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395475
4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146643765
N-[3-(4-acetylpiperazin-1-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394733
4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395040
N-[3-[(3S,5S)-4-acetyl-3,5-dimethylpiperazin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395557
N-[3-(6-acetyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394742
N-[3-(2-cyclopropylmorpholin-4-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394809
N-[3-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394716

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146395147) is 4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(-c3n[nH]c(=O)[nH]3)c1)C2.
What is the InChIKey of 4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is XCFHMYBNSAWBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-9-5-6-13(19)12-8-14(21-15(9)12)17(25)20-11-4-2-3-10(7-11)16-22-18(26)24-23-16/h2-7,14,21H,8H2,1H3,(H,20,25)(H2,22,23,24,26).
What are the key properties of 4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).