2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide

C14H17ClN2O — CID 39349235

IUPAC2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1ccc2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O/c1-10(2)8-16-14(18)9-17-6-5-11-7-12(15)3-4-13(11)17/h3-7,10H,8-9H2,1-2H3,(H,16,18)
InChIKeyISTCEXSJFHEOGF-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.07
Rot. Bonds4

About 2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide

2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 39349235) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID39349235
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1ccc2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O/c1-10(2)8-16-14(18)9-17-6-5-11-7-12(15)3-4-13(11)17/h3-7,10H,8-9H2,1-2H3,(H,16,18)
InChIKeyISTCEXSJFHEOGF-UHFFFAOYSA-N
XLogP3.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-(5-propan-2-yloxyindol-1-yl)acetamide
CID 116625821
2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
CID 39336499
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
CID 100742567
2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371268
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
3-(5-chloroindol-1-yl)-2-methylpropanamide
CID 116623102
N-(4-hydroxy-2-methylpentyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111447043
2-(5-chloroindol-1-yl)-N-pyridin-3-ylacetamide
CID 39341577

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide (CID 39349235) is 2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1ccc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is ISTCEXSJFHEOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10(2)8-16-14(18)9-17-6-5-11-7-12(15)3-4-13(11)17/h3-7,10H,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide?
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 264.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 39349235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).