(1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide

C18H21Cl2NO2 — CID 6978027

IUPAC(1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@H]23)C4(Cl)Cl)cc1
InChIInChI=1S/C18H21Cl2NO2/c1-23-11-4-2-10(3-5-11)21-17(22)16-12-6-8-14-15(18(14,19)20)9-7-13(12)16/h2-5,12-16H,6-9H2,1H3,(H,21,22)/t12-,13-,14-,15+,16?/m0/s1
InChIKeyNIXANVSFKYDSKY-WDFJATGCSA-N
MW354.28 g/mol
LogP4.49
Rot. Bonds3

About (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide

(1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide (PubChem CID 6978027) has the molecular formula C18H21Cl2NO2 and a molecular weight of 354.28 g/mol. Its IUPAC name is (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide.

Molecular Properties

Compound Name(1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
PubChem CID6978027
Molecular FormulaC18H21Cl2NO2
Molecular Weight354.28 g/mol
Exact Mass353.09
IUPAC Name(1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@H]23)C4(Cl)Cl)cc1
InChIInChI=1S/C18H21Cl2NO2/c1-23-11-4-2-10(3-5-11)21-17(22)16-12-6-8-14-15(18(14,19)20)9-7-13(12)16/h2-5,12-16H,6-9H2,1H3,(H,21,22)/t12-,13-,14-,15+,16?/m0/s1
InChIKeyNIXANVSFKYDSKY-WDFJATGCSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 2832429
(1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 98229321
10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 2928549
(1S,4R,6R,9R)-N-(3-acetylphenyl)-10,10-dichlorotricyclo[7.1.0.04,6]decane-5-carboxamide
CID 11896358
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
(1S,2R,4R,5S)-N-(4-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98237630
methyl 3-[[(1R,2R,3R,4S)-3-[(4-methoxyphenyl)carbamoyl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino]propanoate
CID 67495434
(1S,2S,4R,5S,6R,7R)-7-[(4-methoxyphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124775757
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812

Frequently Asked Questions

What is the IUPAC name of (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The IUPAC name of (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide (CID 6978027) is (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide.
What is the SMILES notation for (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The canonical SMILES for (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide is COc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@H]23)C4(Cl)Cl)cc1.
What is the InChIKey of (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The InChIKey is NIXANVSFKYDSKY-WDFJATGCSA-N. The full InChI is InChI=1S/C18H21Cl2NO2/c1-23-11-4-2-10(3-5-11)21-17(22)16-12-6-8-14-15(18(14,19)20)9-7-13(12)16/h2-5,12-16H,6-9H2,1H3,(H,21,22)/t12-,13-,14-,15+,16?/m0/s1.
What are the key properties of (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
(1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide has a molecular weight of 354.28 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide is sourced from PubChem (CID 6978027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).