(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C15H15Cl2NO — CID 98230227

IUPAC(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12
InChIInChI=1S/C15H15Cl2NO/c16-9-3-4-11(10(17)6-9)18-15(19)14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14H,1-2,5H2,(H,18,19)/t7-,8-,12+,13+/m0/s1
InChIKeyKTOXLRYYISIHNX-GYBADROVSA-N
MW296.20 g/mol
LogP4.22
Rot. Bonds2

About (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 98230227) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID98230227
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12
InChIInChI=1S/C15H15Cl2NO/c16-9-3-4-11(10(17)6-9)18-15(19)14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14H,1-2,5H2,(H,18,19)/t7-,8-,12+,13+/m0/s1
InChIKeyKTOXLRYYISIHNX-GYBADROVSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

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Related Compounds

(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98197726
(1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 124776024
(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760899
(1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide
CID 100824173
(1S,2R,3R,4S)-3-[(4-chloro-2-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124723119
(1R,2S,3R,4R)-3-[(2,4-dichlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98152603
N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 113256407
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103820530
N-(2,4-dichlorophenyl)-4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 98278602
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 98230227) is (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12.
What is the InChIKey of (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is KTOXLRYYISIHNX-GYBADROVSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-9-3-4-11(10(17)6-9)18-15(19)14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14H,1-2,5H2,(H,18,19)/t7-,8-,12+,13+/m0/s1.
What are the key properties of (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 296.20 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 98230227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).