(2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide

C19H15ClFN3O2 — CID 122640160

IUPAC(2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(Cn1ccc2cccc(F)c21)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H15ClFN3O2/c1-19(26,11-24-8-7-12-3-2-4-16(21)17(12)24)18(25)23-14-6-5-13(10-22)15(20)9-14/h2-9,26H,11H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyIQCFXEZROMQIEA-IBGZPJMESA-N
MW371.80 g/mol
LogP3.70
Rot. Bonds4

About (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide

(2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 122640160) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
PubChem CID122640160
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name(2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(Cn1ccc2cccc(F)c21)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H15ClFN3O2/c1-19(26,11-24-8-7-12-3-2-4-16(21)17(12)24)18(25)23-14-6-5-13(10-22)15(20)9-14/h2-9,26H,11H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyIQCFXEZROMQIEA-IBGZPJMESA-N
XLogP3.70
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide 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

N-(3-chloro-4-cyanophenyl)-3-(6-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640054
(2S)-N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenylindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640109
N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640086
(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoro-1H-pyrazol-5-yl)-2-hydroxy-2-methylpropanamide
CID 166772647
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide
CID 145175327
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide
CID 71027238
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[7-(trifluoromethyl)indazol-2-yl]propanamide
CID 126537651
N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774526
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969217
(2S)-N-(4-cyano-3-methylphenyl)-3-[3-(4-fluorophenyl)pyrrol-1-yl]-2-hydroxy-2-methylpropanamide
CID 145417366
N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide
CID 9456250

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide (CID 122640160) is (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide is C[C@](O)(Cn1ccc2cccc(F)c21)C(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is IQCFXEZROMQIEA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-19(26,11-24-8-7-12-3-2-4-16(21)17(12)24)18(25)23-14-6-5-13(10-22)15(20)9-14/h2-9,26H,11H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide?
(2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 371.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 122640160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).