3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide

C13H15ClN2O — CID 12664132

IUPAC3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide
SMILESCc1[nH]c2c(NC(=O)CCCl)cccc2c1C
InChIInChI=1S/C13H15ClN2O/c1-8-9(2)15-13-10(8)4-3-5-11(13)16-12(17)6-7-14/h3-5,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyVYNWCBBBJBTGQC-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.35
Rot. Bonds3

About 3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide

3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide (PubChem CID 12664132) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide
PubChem CID12664132
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide
SMILESCc1[nH]c2c(NC(=O)CCCl)cccc2c1C
InChIInChI=1S/C13H15ClN2O/c1-8-9(2)15-13-10(8)4-3-5-11(13)16-12(17)6-7-14/h3-5,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyVYNWCBBBJBTGQC-UHFFFAOYSA-N
XLogP3.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide?
The IUPAC name of 3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide (CID 12664132) is 3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide?
The canonical SMILES for 3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide is Cc1[nH]c2c(NC(=O)CCCl)cccc2c1C.
What is the InChIKey of 3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide?
The InChIKey is VYNWCBBBJBTGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8-9(2)15-13-10(8)4-3-5-11(13)16-12(17)6-7-14/h3-5,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide?
3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide has a molecular weight of 250.73 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dimethyl-1H-indol-7-yl)propanamide is sourced from PubChem (CID 12664132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).