5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide

C18H15ClF3N3O2 — CID 67289991

IUPAC5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H15ClF3N3O2/c1-10(14-5-3-13(8-23-14)27-9-18(20,21)22)24-17(26)16-7-11-6-12(19)2-4-15(11)25-16/h2-8,10,25H,9H2,1H3,(H,24,26)/t10-/m1/s1
InChIKeyTVWDNHWKFYKFKM-SNVBAGLBSA-N
MW397.78 g/mol
LogP4.65
Rot. Bonds5

About 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide

5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 67289991) has the molecular formula C18H15ClF3N3O2 and a molecular weight of 397.78 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
PubChem CID67289991
Molecular FormulaC18H15ClF3N3O2
Molecular Weight397.78 g/mol
Exact Mass397.08
IUPAC Name5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H15ClF3N3O2/c1-10(14-5-3-13(8-23-14)27-9-18(20,21)22)24-17(26)16-7-11-6-12(19)2-4-15(11)25-16/h2-8,10,25H,9H2,1H3,(H,24,26)/t10-/m1/s1
InChIKeyTVWDNHWKFYKFKM-SNVBAGLBSA-N
XLogP4.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-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

Related Compounds

5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
CID 67289264
5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide
CID 67290649
(3S)-1-(5-fluoro-1H-indol-2-yl)-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butan-1-one
CID 158457756
2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 118497834
3-(4-chlorophenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propanamide
CID 67290991
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
4-(imidazol-1-ylmethyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
CID 67289792
2-(6-chloro-5-fluoro-3-pyridinyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 162543824
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide
CID 87342000

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide (CID 67289991) is 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is TVWDNHWKFYKFKM-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2/c1-10(14-5-3-13(8-23-14)27-9-18(20,21)22)24-17(26)16-7-11-6-12(19)2-4-15(11)25-16/h2-8,10,25H,9H2,1H3,(H,24,26)/t10-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 397.78 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67289991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).