N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide

C18H18ClNO — CID 24881783

IUPACN-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CCc2ccc(Cl)cc21)NCc1ccccc1
InChIInChI=1S/C18H18ClNO/c19-16-9-8-14-6-7-15(17(14)11-16)10-18(21)20-12-13-4-2-1-3-5-13/h1-5,8-9,11,15H,6-7,10,12H2,(H,20,21)
InChIKeyBILCBEALZXGESJ-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.08
Rot. Bonds4

About N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide

N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 24881783) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID24881783
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC NameN-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CCc2ccc(Cl)cc21)NCc1ccccc1
InChIInChI=1S/C18H18ClNO/c19-16-9-8-14-6-7-15(17(14)11-16)10-18(21)20-12-13-4-2-1-3-5-13/h1-5,8-9,11,15H,6-7,10,12H2,(H,20,21)
InChIKeyBILCBEALZXGESJ-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955231
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955757
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694
2-(2,3-dihydro-1H-inden-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 86955297
3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 97109671
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
CID 24881854
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97113053
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 97118131
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111386383
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110648172

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide (CID 24881783) is N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide is O=C(CC1CCc2ccc(Cl)cc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is BILCBEALZXGESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c19-16-9-8-14-6-7-15(17(14)11-16)10-18(21)20-12-13-4-2-1-3-5-13/h1-5,8-9,11,15H,6-7,10,12H2,(H,20,21).
What are the key properties of N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide?
N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 299.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 24881783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).