2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide

C12H15ClN2O — CID 115867597

IUPAC2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNC1CCc2ccc(Cl)cc21
InChIInChI=1S/C12H15ClN2O/c1-14-12(16)7-15-11-5-3-8-2-4-9(13)6-10(8)11/h2,4,6,11,15H,3,5,7H2,1H3,(H,14,16)
InChIKeyUZKBUHAMWGNEPL-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.66
Rot. Bonds3

About 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide

2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide (PubChem CID 115867597) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
PubChem CID115867597
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNC1CCc2ccc(Cl)cc21
InChIInChI=1S/C12H15ClN2O/c1-14-12(16)7-15-11-5-3-8-2-4-9(13)6-10(8)11/h2,4,6,11,15H,3,5,7H2,1H3,(H,14,16)
InChIKeyUZKBUHAMWGNEPL-UHFFFAOYSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906751
6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 115867658
3-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115867699
[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124537604
2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-methylacetamide
CID 82686960
N-cyclopropyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79366753
3-chloro-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62735993
6-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 115867576
6-chloro-N-(3-methylcyclobutyl)-2,3-dihydro-1H-inden-1-amine
CID 115892348
7-chloro-2-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83835169

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide (CID 115867597) is 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide is CNC(=O)CNC1CCc2ccc(Cl)cc21.
What is the InChIKey of 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide?
The InChIKey is UZKBUHAMWGNEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-14-12(16)7-15-11-5-3-8-2-4-9(13)6-10(8)11/h2,4,6,11,15H,3,5,7H2,1H3,(H,14,16).
What are the key properties of 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide?
2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide has a molecular weight of 238.72 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide is sourced from PubChem (CID 115867597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).