(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

C23H24Cl2N2O2 — CID 142601846

IUPAC(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCNCC3)cc21
InChIInChI=1S/C23H24Cl2N2O2/c1-27(23(28)29-14-15-10-19(24)13-20(25)11-15)22-5-4-17-2-3-18(12-21(17)22)16-6-8-26-9-7-16/h2-3,6,10-13,22,26H,4-5,7-9,14H2,1H3
InChIKeyBTICEQBAFYCDRK-UHFFFAOYSA-N
MW431.36 g/mol
LogP5.63
Rot. Bonds4

About (3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 142601846) has the molecular formula C23H24Cl2N2O2 and a molecular weight of 431.36 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Name(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID142601846
Molecular FormulaC23H24Cl2N2O2
Molecular Weight431.36 g/mol
Exact Mass430.12
IUPAC Name(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCNCC3)cc21
InChIInChI=1S/C23H24Cl2N2O2/c1-27(23(28)29-14-15-10-19(24)13-20(25)11-15)22-5-4-17-2-3-18(12-21(17)22)16-6-8-26-9-7-16/h2-3,6,10-13,22,26H,4-5,7-9,14H2,1H3
InChIKeyBTICEQBAFYCDRK-UHFFFAOYSA-N
XLogP5.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of (3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 142601846) is (3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for (3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for (3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCNCC3)cc21.
What is the InChIKey of (3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is BTICEQBAFYCDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O2/c1-27(23(28)29-14-15-10-19(24)13-20(25)11-15)22-5-4-17-2-3-18(12-21(17)22)16-6-8-26-9-7-16/h2-3,6,10-13,22,26H,4-5,7-9,14H2,1H3.
What are the key properties of (3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 431.36 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 142601846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).