2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide

C13H15ClN2O — CID 162663759

IUPAC2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide
SMILESCC(C)c1c(CC(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN2O/c1-7(2)13-9-5-8(14)3-4-10(9)16-11(13)6-12(15)17/h3-5,7,16H,6H2,1-2H3,(H2,15,17)
InChIKeyIFPRJIBVYBLMFW-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.97
Rot. Bonds3

About 2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide

2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide (PubChem CID 162663759) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide
PubChem CID162663759
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide
SMILESCC(C)c1c(CC(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN2O/c1-7(2)13-9-5-8(14)3-4-10(9)16-11(13)6-12(15)17/h3-5,7,16H,6H2,1-2H3,(H2,15,17)
InChIKeyIFPRJIBVYBLMFW-UHFFFAOYSA-N
XLogP2.97
TPSA58.88 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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide
CID 71483149
2-(3-butan-2-yl-6,7-dichloro-4-sulfanylidene-1H-quinolin-2-yl)acetamide
CID 143751490
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
2-methylpropyl 5-chloro-3-ethynyl-1H-indole-2-carboxylate
CID 162435178
2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
CID 171793226
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide
CID 90480445
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]butanoic acid
CID 174457777
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 6919166
1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 107431860
ethyl 5-chloro-3-[methylsulfanyl(phenyl)methyl]-1H-indole-2-carboxylate
CID 127032041

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide?
The IUPAC name of 2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide (CID 162663759) is 2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide?
The canonical SMILES for 2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide is CC(C)c1c(CC(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide?
The InChIKey is IFPRJIBVYBLMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-7(2)13-9-5-8(14)3-4-10(9)16-11(13)6-12(15)17/h3-5,7,16H,6H2,1-2H3,(H2,15,17).
What are the key properties of 2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide?
2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide has a molecular weight of 250.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-propan-2-yl-1H-indol-2-yl)acetamide is sourced from PubChem (CID 162663759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).