(2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide

C20H22Cl2N2O — CID 171044366

IUPAC(2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide
SMILESC[C@H](N)C(=O)N(C)[C@@H]1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C20H22Cl2N2O/c1-12(23)20(25)24(2)19-10-8-14(15-5-3-4-6-16(15)19)13-7-9-17(21)18(22)11-13/h3-7,9,11-12,14,19H,8,10,23H2,1-2H3/t12-,14?,19+/m0/s1
InChIKeyRIPYUDNCWATACS-BOKJEVAUSA-N
MW377.32 g/mol
LogP4.77
Rot. Bonds3

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

(2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide (PubChem CID 171044366) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide
PubChem CID171044366
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name(2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide
SMILESC[C@H](N)C(=O)N(C)[C@@H]1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C20H22Cl2N2O/c1-12(23)20(25)24(2)19-10-8-14(15-5-3-4-6-16(15)19)13-7-9-17(21)18(22)11-13/h3-7,9,11-12,14,19H,8,10,23H2,1-2H3/t12-,14?,19+/m0/s1
InChIKeyRIPYUDNCWATACS-BOKJEVAUSA-N
XLogP4.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloroethyl N-[(4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylcarbamate
CID 126702708
(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408774
(2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 163242495
4-[1-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylcarbamoyl]oxyethoxy]-4-oxobutanoic acid
CID 135312082
N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide
CID 169187571
[7-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylamino]-7-oxoheptyl]-triphenylphosphanium
CID 171423617
2-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-iodoamino]ethane-1,1-diol
CID 143944715
ethyl 3-benzyl-4-[[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylamino]butanoate
CID 166444143
(1S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 131698545
(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 58591995
2,2,2-trichloroethyl N-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylsulfamate
CID 138531910
4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 91240365

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide (CID 171044366) is (2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide is C[C@H](N)C(=O)N(C)[C@@H]1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide?
The InChIKey is RIPYUDNCWATACS-BOKJEVAUSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-12(23)20(25)24(2)19-10-8-14(15-5-3-4-6-16(15)19)13-7-9-17(21)18(22)11-13/h3-7,9,11-12,14,19H,8,10,23H2,1-2H3/t12-,14?,19+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide?
(2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide has a molecular weight of 377.32 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide is sourced from PubChem (CID 171044366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).