3-(5-chloroindol-1-yl)-2-methylpropanamide

C12H13ClN2O — CID 116623102

IUPAC3-(5-chloroindol-1-yl)-2-methylpropanamide
SMILESCC(Cn1ccc2cc(Cl)ccc21)C(N)=O
InChIInChI=1S/C12H13ClN2O/c1-8(12(14)16)7-15-5-4-9-6-10(13)2-3-11(9)15/h2-6,8H,7H2,1H3,(H2,14,16)
InChIKeyRYPGMXBBAZDQBL-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.42
Rot. Bonds3

About 3-(5-chloroindol-1-yl)-2-methylpropanamide

3-(5-chloroindol-1-yl)-2-methylpropanamide (PubChem CID 116623102) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-(5-chloroindol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(5-chloroindol-1-yl)-2-methylpropanamide
PubChem CID116623102
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-(5-chloroindol-1-yl)-2-methylpropanamide
SMILESCC(Cn1ccc2cc(Cl)ccc21)C(N)=O
InChIInChI=1S/C12H13ClN2O/c1-8(12(14)16)7-15-5-4-9-6-10(13)2-3-11(9)15/h2-6,8H,7H2,1H3,(H2,14,16)
InChIKeyRYPGMXBBAZDQBL-UHFFFAOYSA-N
XLogP2.42
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoroindol-1-yl)-2-methylpropanamide
CID 63850136
3-indol-1-yl-2-methylpropanamide
CID 63811423
3-(5-cyanoindol-1-yl)-2-methylpropanamide
CID 107920443
(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid
CID 68889856
methyl 2-amino-3-(5-chloroindol-1-yl)propanoate
CID 68851611
2-acetamido-3-(5-chloroindol-1-yl)propanoic acid
CID 64581311
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
3-(5-chloroindol-1-yl)-2,2-dimethylpropanoic acid
CID 79628987
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroindol-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(5-chloroindol-1-yl)-2-methylpropanamide (CID 116623102) is 3-(5-chloroindol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(5-chloroindol-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(5-chloroindol-1-yl)-2-methylpropanamide is CC(Cn1ccc2cc(Cl)ccc21)C(N)=O.
What is the InChIKey of 3-(5-chloroindol-1-yl)-2-methylpropanamide?
The InChIKey is RYPGMXBBAZDQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8(12(14)16)7-15-5-4-9-6-10(13)2-3-11(9)15/h2-6,8H,7H2,1H3,(H2,14,16).
What are the key properties of 3-(5-chloroindol-1-yl)-2-methylpropanamide?
3-(5-chloroindol-1-yl)-2-methylpropanamide has a molecular weight of 236.70 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroindol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 116623102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).