(5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C23H26Cl2N2O — CID 59143866

IUPAC(5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@@H](N(C)C)CC[C@H]2c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C23H26Cl2N2O/c1-26(2)22-11-9-17(14-5-10-20(24)21(25)13-14)18-8-4-15(12-19(18)22)23(28)27(3)16-6-7-16/h4-5,8,10,12-13,16-17,22H,6-7,9,11H2,1-3H3/t17-,22-/m0/s1
InChIKeyBWKQSSUHRREHRM-JTSKRJEESA-N
MW417.38 g/mol
LogP5.76
Rot. Bonds4

About (5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

(5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 59143866) has the molecular formula C23H26Cl2N2O and a molecular weight of 417.38 g/mol. Its IUPAC name is (5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID59143866
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.38 g/mol
Exact Mass416.14
IUPAC Name(5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@@H](N(C)C)CC[C@H]2c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C23H26Cl2N2O/c1-26(2)22-11-9-17(14-5-10-20(24)21(25)13-14)18-8-4-15(12-19(18)22)23(28)27(3)16-6-7-16/h4-5,8,10,12-13,16-17,22H,6-7,9,11H2,1-3H3/t17-,22-/m0/s1
InChIKeyBWKQSSUHRREHRM-JTSKRJEESA-N
XLogP5.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408774
methyl (5S,8S)-5-(3,4-dichlorophenyl)-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 59143820
tert-butyl N-[(1S,4S)-7-(cyclopropylcarbamoyl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylcarbamate
CID 59143916
(2S)-2-amino-N-[(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylpropanamide
CID 171044366
1-chloroethyl N-[(4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylcarbamate
CID 126702708
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 91240365
N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide
CID 107990590
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2,2,4,4,6,6-heptamethyl-5-oxoheptanamide
CID 169187571
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
7-(1-aminoethenyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142014675

Frequently Asked Questions

What is the IUPAC name of (5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 59143866) is (5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CN(C(=O)c1ccc2c(c1)[C@@H](N(C)C)CC[C@H]2c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of (5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is BWKQSSUHRREHRM-JTSKRJEESA-N. The full InChI is InChI=1S/C23H26Cl2N2O/c1-26(2)22-11-9-17(14-5-10-20(24)21(25)13-14)18-8-4-15(12-19(18)22)23(28)27(3)16-6-7-16/h4-5,8,10,12-13,16-17,22H,6-7,9,11H2,1-3H3/t17-,22-/m0/s1.
What are the key properties of (5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
(5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 417.38 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-N-cyclopropyl-5-(3,4-dichlorophenyl)-8-(dimethylamino)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 59143866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).