2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide

C16H15ClN2O2 — CID 113211934

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)NCc1ccco1
InChIInChI=1S/C16H15ClN2O2/c1-10-13(14-7-11(17)4-5-15(14)19-10)8-16(20)18-9-12-3-2-6-21-12/h2-7,19H,8-9H2,1H3,(H,18,20)
InChIKeyXEHHMQRIOKWIDU-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.58
Rot. Bonds4

About 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 113211934) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID113211934
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)NCc1ccco1
InChIInChI=1S/C16H15ClN2O2/c1-10-13(14-7-11(17)4-5-15(14)19-10)8-16(20)18-9-12-3-2-6-21-12/h2-7,19H,8-9H2,1H3,(H,18,20)
InChIKeyXEHHMQRIOKWIDU-UHFFFAOYSA-N
XLogP3.58
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 134815508
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889006
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-(furan-2-ylmethyl)-3-methylthiourea
CID 5225378
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 38764960
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide (CID 113211934) is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide is Cc1[nH]c2ccc(Cl)cc2c1CC(=O)NCc1ccco1.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XEHHMQRIOKWIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-13(14-7-11(17)4-5-15(14)19-10)8-16(20)18-9-12-3-2-6-21-12/h2-7,19H,8-9H2,1H3,(H,18,20).
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide?
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 302.76 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113211934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).