N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide

C21H14ClF6N3O2 — CID 44624034

IUPACN-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESO=C(NCCc1c(C(F)(F)F)[nH]c2c(Cl)cccc12)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C21H14ClF6N3O2/c22-14-3-1-2-12-13(18(20(23,24)25)31-17(12)14)6-7-29-19(32)16-9-10-8-11(33-21(26,27)28)4-5-15(10)30-16/h1-5,8-9,30-31H,6-7H2,(H,29,32)
InChIKeyFVZPDHQSPLYFRU-UHFFFAOYSA-N
MW489.80 g/mol
LogP6.19
Rot. Bonds5

About N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide

N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 44624034) has the molecular formula C21H14ClF6N3O2 and a molecular weight of 489.80 g/mol. Its IUPAC name is N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID44624034
Molecular FormulaC21H14ClF6N3O2
Molecular Weight489.80 g/mol
Exact Mass489.07
IUPAC NameN-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESO=C(NCCc1c(C(F)(F)F)[nH]c2c(Cl)cccc12)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C21H14ClF6N3O2/c22-14-3-1-2-12-13(18(20(23,24)25)31-17(12)14)6-7-29-19(32)16-9-10-8-11(33-21(26,27)28)4-5-15(10)30-16/h1-5,8-9,30-31H,6-7H2,(H,29,32)
InChIKeyFVZPDHQSPLYFRU-UHFFFAOYSA-N
XLogP6.19
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.80
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 44624034) is N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is O=C(NCCc1c(C(F)(F)F)[nH]c2c(Cl)cccc12)c1cc2cc(OC(F)(F)F)ccc2[nH]1.
What is the InChIKey of N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is FVZPDHQSPLYFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF6N3O2/c22-14-3-1-2-12-13(18(20(23,24)25)31-17(12)14)6-7-29-19(32)16-9-10-8-11(33-21(26,27)28)4-5-15(10)30-16/h1-5,8-9,30-31H,6-7H2,(H,29,32).
What are the key properties of N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 489.80 g/mol, XLogP of 6.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 44624034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).