6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide

C18H15FN2O — CID 144936006

IUPAC6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H15FN2O/c19-14-7-6-12-10-16(20-15(12)11-14)17(22)21-18(8-9-18)13-4-2-1-3-5-13/h1-7,10-11,20H,8-9H2,(H,21,22)
InChIKeyHHUHLGHCQFMKIV-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.73
Rot. Bonds3

About 6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide

6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide (PubChem CID 144936006) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide
PubChem CID144936006
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H15FN2O/c19-14-7-6-12-10-16(20-15(12)11-14)17(22)21-18(8-9-18)13-4-2-1-3-5-13/h1-7,10-11,20H,8-9H2,(H,21,22)
InChIKeyHHUHLGHCQFMKIV-UHFFFAOYSA-N
XLogP3.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide (CID 144936006) is 6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide is O=C(NC1(c2ccccc2)CC1)c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide?
The InChIKey is HHUHLGHCQFMKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-14-7-6-12-10-16(20-15(12)11-14)17(22)21-18(8-9-18)13-4-2-1-3-5-13/h1-7,10-11,20H,8-9H2,(H,21,22).
What are the key properties of 6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide?
6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 144936006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).