N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide

C12H13ClN2O — CID 6498758

IUPACN-[(5-chloro-1-methylindol-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H13ClN2O/c1-8(16)14-7-11-6-9-5-10(13)3-4-12(9)15(11)2/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyLGQUXFTZXTYMRZ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.47
Rot. Bonds2

About N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide

N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide (PubChem CID 6498758) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-1-methylindol-2-yl)methyl]acetamide
PubChem CID6498758
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC NameN-[(5-chloro-1-methylindol-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H13ClN2O/c1-8(16)14-7-11-6-9-5-10(13)3-4-12(9)15(11)2/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyLGQUXFTZXTYMRZ-UHFFFAOYSA-N
XLogP2.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide (CID 6498758) is N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide is CC(=O)NCc1cc2cc(Cl)ccc2n1C.
What is the InChIKey of N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide?
The InChIKey is LGQUXFTZXTYMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8(16)14-7-11-6-9-5-10(13)3-4-12(9)15(11)2/h3-6H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide?
N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide has a molecular weight of 236.70 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylindol-2-yl)methyl]acetamide is sourced from PubChem (CID 6498758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).