N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide

C13H15ClN2O — CID 113464669

IUPACN-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
SMILESC=C(Cl)CNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C13H15ClN2O/c1-9(14)7-16-13(17)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,10,15H,1,6-8H2,(H,16,17)
InChIKeySHQGFVWPHAEESJ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.45
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide

N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide (PubChem CID 113464669) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
PubChem CID113464669
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
SMILESC=C(Cl)CNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C13H15ClN2O/c1-9(14)7-16-13(17)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,10,15H,1,6-8H2,(H,16,17)
InChIKeySHQGFVWPHAEESJ-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571757
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792
2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 80573900
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332228
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 106390914
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 80573115

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide (CID 113464669) is N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide is C=C(Cl)CNC(=O)CC1CNc2ccccc21.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The InChIKey is SHQGFVWPHAEESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9(14)7-16-13(17)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,10,15H,1,6-8H2,(H,16,17).
What are the key properties of N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide has a molecular weight of 250.73 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113464669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).