N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide

C16H21ClN2O2 — CID 171517879

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide
SMILESCC(O)CC(=O)NCc1cc2cc(Cl)c(C(C)C)cc2[nH]1
InChIInChI=1S/C16H21ClN2O2/c1-9(2)13-7-15-11(6-14(13)17)5-12(19-15)8-18-16(21)4-10(3)20/h5-7,9-10,19-20H,4,8H2,1-3H3,(H,18,21)
InChIKeyAHVYJMYZJDMNLS-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.33
Rot. Bonds5

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide (PubChem CID 171517879) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide
PubChem CID171517879
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide
SMILESCC(O)CC(=O)NCc1cc2cc(Cl)c(C(C)C)cc2[nH]1
InChIInChI=1S/C16H21ClN2O2/c1-9(2)13-7-15-11(6-14(13)17)5-12(19-15)8-18-16(21)4-10(3)20/h5-7,9-10,19-20H,4,8H2,1-3H3,(H,18,21)
InChIKeyAHVYJMYZJDMNLS-UHFFFAOYSA-N
XLogP3.33
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.33
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]-3-hydroxybutanamide?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide (CID 171517879) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide is CC(O)CC(=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]-3-hydroxybutanamide?
The InChIKey is AHVYJMYZJDMNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-9(2)13-7-15-11(6-14(13)17)5-12(19-15)8-18-16(21)4-10(3)20/h5-7,9-10,19-20H,4,8H2,1-3H3,(H,18,21).
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-hydroxybutanamide has a molecular weight of 308.81 g/mol, XLogP of 3.33, 5 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]-3-hydroxybutanamide is sourced from PubChem (CID 171517879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).