N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide

C19H19Cl2NO — CID 6428309

IUPACN-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H19Cl2NO/c1-12(23)22(2)19-10-8-14(15-5-3-4-6-16(15)19)13-7-9-17(20)18(21)11-13/h3-7,9,11,14,19H,8,10H2,1-2H3/t14-,19-/m1/s1
InChIKeyVVNSLNBJUXUABM-AUUYWEPGSA-N
MW348.27 g/mol
LogP5.44
Rot. Bonds2

About N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide

N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide (PubChem CID 6428309) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
PubChem CID6428309
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC NameN-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H19Cl2NO/c1-12(23)22(2)19-10-8-14(15-5-3-4-6-16(15)19)13-7-9-17(20)18(21)11-13/h3-7,9,11,14,19H,8,10H2,1-2H3/t14-,19-/m1/s1
InChIKeyVVNSLNBJUXUABM-AUUYWEPGSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide with MolForge

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Related Compounds

Sertraline
CID 68617
Sertraline Hydrochloride
CID 63009
Sertraline Hydrochloride, trans-(A+-)-
CID 18600608
4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine
CID 5203
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
CID 13408687
n-Methyl sertraline
CID 18642483
Sertraline, cis-(-)-
CID 54375
Sertraline, trans-(A+-)-
CID 9882979
(1S,4R) Sertraline Hydrochloride
CID 46782916
Sertraline(1+)
CID 1616961
Sertraline hydrochloride, cis-(-)-
CID 13408688
2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydro-naphthalen-1-yl)-acetamide
CID 14476585

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide?
The IUPAC name of N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide (CID 6428309) is N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide?
The InChIKey is VVNSLNBJUXUABM-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c1-12(23)22(2)19-10-8-14(15-5-3-4-6-16(15)19)13-7-9-17(20)18(21)11-13/h3-7,9,11,14,19H,8,10H2,1-2H3/t14-,19-/m1/s1.
What are the key properties of N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide?
N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide has a molecular weight of 348.27 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide is sourced from PubChem (CID 6428309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).