(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C21H25ClN2O — CID 39977633

IUPAC(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(C)[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C21H25ClN2O/c1-24(2)20(18-11-5-6-13-19(18)22)14-23-21(25)17-12-7-9-15-8-3-4-10-16(15)17/h3-6,8,10-11,13,17,20H,7,9,12,14H2,1-2H3,(H,23,25)/t17-,20+/m1/s1
InChIKeyDNNZLQUKLXGWOE-XLIONFOSSA-N
MW356.90 g/mol
LogP4.18
Rot. Bonds5

About (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 39977633) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID39977633
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(C)[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C21H25ClN2O/c1-24(2)20(18-11-5-6-13-19(18)22)14-23-21(25)17-12-7-9-15-8-3-4-10-16(15)17/h3-6,8,10-11,13,17,20H,7,9,12,14H2,1-2H3,(H,23,25)/t17-,20+/m1/s1
InChIKeyDNNZLQUKLXGWOE-XLIONFOSSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

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Related Compounds

2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113496484
N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113272066
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46434571
N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60566059
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43047848

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 39977633) is (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CN(C)[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1Cl.
What is the InChIKey of (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is DNNZLQUKLXGWOE-XLIONFOSSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-24(2)20(18-11-5-6-13-19(18)22)14-23-21(25)17-12-7-9-15-8-3-4-10-16(15)17/h3-6,8,10-11,13,17,20H,7,9,12,14H2,1-2H3,(H,23,25)/t17-,20+/m1/s1.
What are the key properties of (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 39977633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).