5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide

C18H14FN5O — CID 86822053

IUPAC5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1Cn1cncn1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H14FN5O/c19-14-5-6-16-13(7-14)8-17(22-16)18(25)23-15-4-2-1-3-12(15)9-24-11-20-10-21-24/h1-8,10-11,22H,9H2,(H,23,25)
InChIKeyIVXGKWNMQWOLOM-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.20
Rot. Bonds4

About 5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide

5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 86822053) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID86822053
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1Cn1cncn1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H14FN5O/c19-14-5-6-16-13(7-14)8-17(22-16)18(25)23-15-4-2-1-3-12(15)9-24-11-20-10-21-24/h1-8,10-11,22H,9H2,(H,23,25)
InChIKeyIVXGKWNMQWOLOM-UHFFFAOYSA-N
XLogP3.20
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014388
5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55978479
2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 47064609
3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87031833
N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzoxazole-2-carboxamide
CID 167957891
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 87031870
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55908267
5-fluoro-2-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 63292739

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide (CID 86822053) is 5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccccc1Cn1cncn1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is IVXGKWNMQWOLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-14-5-6-16-13(7-14)8-17(22-16)18(25)23-15-4-2-1-3-12(15)9-24-11-20-10-21-24/h1-8,10-11,22H,9H2,(H,23,25).
What are the key properties of 5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide?
5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 86822053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).