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

C19H15ClFN3O2 — CID 122640094

IUPAC(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(Cn1ccc2c(F)cccc21)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H15ClFN3O2/c1-19(26,11-24-8-7-14-16(21)3-2-4-17(14)24)18(25)23-13-6-5-12(10-22)15(20)9-13/h2-9,26H,11H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyMVBCFXQHDXSGME-IBGZPJMESA-N
MW371.80 g/mol
LogP3.70
Rot. Bonds4

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

(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 122640094) 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-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
PubChem CID122640094
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(Cn1ccc2c(F)cccc21)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H15ClFN3O2/c1-19(26,11-24-8-7-14-16(21)3-2-4-17(14)24)18(25)23-13-6-5-12(10-22)15(20)9-13/h2-9,26H,11H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyMVBCFXQHDXSGME-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide (CID 122640094) is (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide is C[C@](O)(Cn1ccc2c(F)cccc21)C(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is MVBCFXQHDXSGME-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-19(26,11-24-8-7-14-16(21)3-2-4-17(14)24)18(25)23-13-6-5-12(10-22)15(20)9-13/h2-9,26H,11H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide?
(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-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-(4-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 122640094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).