5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide

C19H13ClF4N2O2 — CID 10024693

IUPAC5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1c(F)cc2c(c1F)CCC(F)(F)C2O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H13ClF4N2O2/c20-9-1-2-13-8(5-9)6-14(25-13)18(28)26-16-12(21)7-11-10(15(16)22)3-4-19(23,24)17(11)27/h1-2,5-7,17,25,27H,3-4H2,(H,26,28)
InChIKeyNUFIIKLVNAEDGC-UHFFFAOYSA-N
MW412.77 g/mol
LogP4.97
Rot. Bonds2

About 5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide

5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide (PubChem CID 10024693) has the molecular formula C19H13ClF4N2O2 and a molecular weight of 412.77 g/mol. Its IUPAC name is 5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide
PubChem CID10024693
Molecular FormulaC19H13ClF4N2O2
Molecular Weight412.77 g/mol
Exact Mass412.06
IUPAC Name5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1c(F)cc2c(c1F)CCC(F)(F)C2O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H13ClF4N2O2/c20-9-1-2-13-8(5-9)6-14(25-13)18(28)26-16-12(21)7-11-10(15(16)22)3-4-19(23,24)17(11)27/h1-2,5-7,17,25,27H,3-4H2,(H,26,28)
InChIKeyNUFIIKLVNAEDGC-UHFFFAOYSA-N
XLogP4.97
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.77
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide (CID 10024693) is 5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide is O=C(Nc1c(F)cc2c(c1F)CCC(F)(F)C2O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide?
The InChIKey is NUFIIKLVNAEDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N2O2/c20-9-1-2-13-8(5-9)6-14(25-13)18(28)26-16-12(21)7-11-10(15(16)22)3-4-19(23,24)17(11)27/h1-2,5-7,17,25,27H,3-4H2,(H,26,28).
What are the key properties of 5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide?
5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide has a molecular weight of 412.77 g/mol, XLogP of 4.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 10024693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).