N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide

C24H22Cl2N2O — CID 44609533

IUPACN-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
SMILESCN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(NC(=O)c3ccccc3)cc21
InChIInChI=1S/C24H22Cl2N2O/c1-27-23-12-10-18(16-7-11-21(25)22(26)13-16)19-9-8-17(14-20(19)23)28-24(29)15-5-3-2-4-6-15/h2-9,11,13-14,18,23,27H,10,12H2,1H3,(H,28,29)/t18-,23-/m0/s1
InChIKeyUFXXVKYEYXQPGW-MBSDFSHPSA-N
MW425.36 g/mol
LogP6.43
Rot. Bonds4

About N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide

N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 44609533) has the molecular formula C24H22Cl2N2O and a molecular weight of 425.36 g/mol. Its IUPAC name is N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound NameN-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
PubChem CID44609533
Molecular FormulaC24H22Cl2N2O
Molecular Weight425.36 g/mol
Exact Mass424.11
IUPAC NameN-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
SMILESCN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(NC(=O)c3ccccc3)cc21
InChIInChI=1S/C24H22Cl2N2O/c1-27-23-12-10-18(16-7-11-21(25)22(26)13-16)19-9-8-17(14-20(19)23)28-24(29)15-5-3-2-4-6-15/h2-9,11,13-14,18,23,27H,10,12H2,1H3,(H,28,29)/t18-,23-/m0/s1
InChIKeyUFXXVKYEYXQPGW-MBSDFSHPSA-N
XLogP6.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.36
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408686
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408687
5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-thiol
CID 142014615
7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142014675
[(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
CID 59274170
(8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride
CID 87963751
1-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propane-2-thione
CID 58129631
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methylsulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 58129674
(2S)-2-aminobutanedioate;(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86758829
N-[[5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]formamide;hydrochloride
CID 87963782
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide;(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 174797164
(1R,4S)-4-(4-chloro-3-methylphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;ethane
CID 143552734

Frequently Asked Questions

What is the IUPAC name of N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide (CID 44609533) is N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide is CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(NC(=O)c3ccccc3)cc21.
What is the InChIKey of N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is UFXXVKYEYXQPGW-MBSDFSHPSA-N. The full InChI is InChI=1S/C24H22Cl2N2O/c1-27-23-12-10-18(16-7-11-21(25)22(26)13-16)19-9-8-17(14-20(19)23)28-24(29)15-5-3-2-4-6-15/h2-9,11,13-14,18,23,27H,10,12H2,1H3,(H,28,29)/t18-,23-/m0/s1.
What are the key properties of N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?
N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 425.36 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 44609533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).