N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide

C15H19ClN2O2 — CID 171731951

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCc1cc2cc(Cl)c(C(C)C)cc2[nH]1
InChIInChI=1S/C15H19ClN2O2/c1-8(2)12-6-14-10(5-13(12)16)4-11(18-14)7-17-15(20)9(3)19/h4-6,8-9,18-19H,7H2,1-3H3,(H,17,20)
InChIKeyJWCKCYAOEMIWJR-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.94
Rot. Bonds4

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide (PubChem CID 171731951) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
PubChem CID171731951
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCc1cc2cc(Cl)c(C(C)C)cc2[nH]1
InChIInChI=1S/C15H19ClN2O2/c1-8(2)12-6-14-10(5-13(12)16)4-11(18-14)7-17-15(20)9(3)19/h4-6,8-9,18-19H,7H2,1-3H3,(H,17,20)
InChIKeyJWCKCYAOEMIWJR-UHFFFAOYSA-N
XLogP2.94
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide (CID 171731951) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide is CC(O)C(=O)NCc1cc2cc(Cl)c(C(C)C)cc2[nH]1.
What is the InChIKey of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide?
The InChIKey is JWCKCYAOEMIWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-8(2)12-6-14-10(5-13(12)16)4-11(18-14)7-17-15(20)9(3)19/h4-6,8-9,18-19H,7H2,1-3H3,(H,17,20).
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide has a molecular weight of 294.78 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide is sourced from PubChem (CID 171731951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).