N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide

C18H17ClFNO — CID 70521135

IUPACN-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CC(c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H17ClFNO/c1-11(22)21(2)18-10-15(13-5-3-4-6-14(13)18)12-7-8-17(20)16(19)9-12/h3-9,15,18H,10H2,1-2H3
InChIKeyDYSZUCOWGUMLSB-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.53
Rot. Bonds2

About N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide

N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide (PubChem CID 70521135) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide
PubChem CID70521135
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC NameN-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CC(c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H17ClFNO/c1-11(22)21(2)18-10-15(13-5-3-4-6-14(13)18)12-7-8-17(20)16(19)9-12/h3-9,15,18H,10H2,1-2H3
InChIKeyDYSZUCOWGUMLSB-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10809333
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isopropyl-2,2-dimethyl-piperazine
CID 11795296
3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260325
4-[4-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 9864292
[3-(4-Chloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 13543780
4-[5-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10619325
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2-dimethyl-piperazine
CID 10666149
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,2-diethyl-1-methyl-piperazine
CID 10787201
4-[7-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10809334
4-[6-Chloro-3-(2-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10809335
4-[6-Chloro-3-(3-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10833129
1-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-4-methyl-piperazine
CID 44329358

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide?
The IUPAC name of N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide (CID 70521135) is N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide?
The canonical SMILES for N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide is CC(=O)N(C)C1CC(c2ccc(F)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide?
The InChIKey is DYSZUCOWGUMLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c1-11(22)21(2)18-10-15(13-5-3-4-6-14(13)18)12-7-8-17(20)16(19)9-12/h3-9,15,18H,10H2,1-2H3.
What are the key properties of N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide?
N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide has a molecular weight of 317.79 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide is sourced from PubChem (CID 70521135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).