(1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide

C17H19Cl2NO — CID 100824124

IUPAC(1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2C[C@H]3CC[C@H]1[C@H]2C3
InChIInChI=1S/C17H19Cl2NO/c18-11-2-4-16(15(19)8-11)20-17(21)14-7-10-5-9-1-3-12(14)13(10)6-9/h2,4,8-10,12-14H,1,3,5-7H2,(H,20,21)/t9-,10-,12+,13+,14-/m1/s1
InChIKeyOQECFXTZPDECGI-SJVBDLOYSA-N
MW324.25 g/mol
LogP5.00
Rot. Bonds2

About (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide

(1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide (PubChem CID 100824124) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide.

Molecular Properties

Compound Name(1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide
PubChem CID100824124
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name(1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2C[C@H]3CC[C@H]1[C@H]2C3
InChIInChI=1S/C17H19Cl2NO/c18-11-2-4-16(15(19)8-11)20-17(21)14-7-10-5-9-1-3-12(14)13(10)6-9/h2,4,8-10,12-14H,1,3,5-7H2,(H,20,21)/t9-,10-,12+,13+,14-/m1/s1
InChIKeyOQECFXTZPDECGI-SJVBDLOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide with MolForge

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Related Compounds

(1R,4S,5R,7S,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide
CID 100824122
(1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide
CID 100824173
2-N-(2,4-dichlorophenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130797
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648977
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648978
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
1-N-(2,4-dichlorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143453
1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 76932913

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide?
The IUPAC name of (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide (CID 100824124) is (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide.
What is the SMILES notation for (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide?
The canonical SMILES for (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2C[C@H]3CC[C@H]1[C@H]2C3.
What is the InChIKey of (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide?
The InChIKey is OQECFXTZPDECGI-SJVBDLOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c18-11-2-4-16(15(19)8-11)20-17(21)14-7-10-5-9-1-3-12(14)13(10)6-9/h2,4,8-10,12-14H,1,3,5-7H2,(H,20,21)/t9-,10-,12+,13+,14-/m1/s1.
What are the key properties of (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide?
(1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide has a molecular weight of 324.25 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,7R,8S)-N-(2,4-dichlorophenyl)tricyclo[5.2.1.04,8]decane-5-carboxamide is sourced from PubChem (CID 100824124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).