3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide

C20H18ClF3N2O2 — CID 166886097

IUPAC3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(Cl)cc12)NC(CO)CF
InChIInChI=1S/C20H18ClF3N2O2/c21-12-7-16-15(5-6-18(28)25-14(9-22)10-27)19(26-20(16)17(24)8-12)11-1-3-13(23)4-2-11/h1-4,7-8,14,26-27H,5-6,9-10H2,(H,25,28)
InChIKeyBKTUDNJZUCLKJM-UHFFFAOYSA-N
MW410.82 g/mol
LogP4.15
Rot. Bonds7

About 3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide

3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide (PubChem CID 166886097) has the molecular formula C20H18ClF3N2O2 and a molecular weight of 410.82 g/mol. Its IUPAC name is 3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide
PubChem CID166886097
Molecular FormulaC20H18ClF3N2O2
Molecular Weight410.82 g/mol
Exact Mass410.10
IUPAC Name3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(Cl)cc12)NC(CO)CF
InChIInChI=1S/C20H18ClF3N2O2/c21-12-7-16-15(5-6-18(28)25-14(9-22)10-27)19(26-20(16)17(24)8-12)11-1-3-13(23)4-2-11/h1-4,7-8,14,26-27H,5-6,9-10H2,(H,25,28)
InChIKeyBKTUDNJZUCLKJM-UHFFFAOYSA-N
XLogP4.15
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.82
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide?
The IUPAC name of 3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide (CID 166886097) is 3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide.
What is the SMILES notation for 3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide?
The canonical SMILES for 3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide is O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(Cl)cc12)NC(CO)CF.
What is the InChIKey of 3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide?
The InChIKey is BKTUDNJZUCLKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O2/c21-12-7-16-15(5-6-18(28)25-14(9-22)10-27)19(26-20(16)17(24)8-12)11-1-3-13(23)4-2-11/h1-4,7-8,14,26-27H,5-6,9-10H2,(H,25,28).
What are the key properties of 3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide?
3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide has a molecular weight of 410.82 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-fluoro-3-hydroxypropan-2-yl)propanamide is sourced from PubChem (CID 166886097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).