(1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide

C17H17Cl4NO — CID 98229321

IUPAC(1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl
InChIInChI=1S/C17H17Cl4NO/c18-13-6-1-8(7-14(13)19)22-16(23)15-9-2-4-11-12(17(11,20)21)5-3-10(9)15/h1,6-7,9-12,15H,2-5H2,(H,22,23)/t9-,10-,11-,12-/m1/s1
InChIKeyBFBWEKPADQPKTF-DDHJBXDOSA-N
MW393.14 g/mol
LogP5.79
Rot. Bonds2

About (1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide

(1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide (PubChem CID 98229321) has the molecular formula C17H17Cl4NO and a molecular weight of 393.14 g/mol. Its IUPAC name is (1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide.

Molecular Properties

Compound Name(1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
PubChem CID98229321
Molecular FormulaC17H17Cl4NO
Molecular Weight393.14 g/mol
Exact Mass391.01
IUPAC Name(1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl
InChIInChI=1S/C17H17Cl4NO/c18-13-6-1-8(7-14(13)19)22-16(23)15-9-2-4-11-12(17(11,20)21)5-3-10(9)15/h1,6-7,9-12,15H,2-5H2,(H,22,23)/t9-,10-,11-,12-/m1/s1
InChIKeyBFBWEKPADQPKTF-DDHJBXDOSA-N
XLogP5.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.14
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 2928549
(1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
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CID 5412789
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CID 763889
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CID 50937804
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
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CID 118510777
cyclopentyl N-(3,4-dichlorophenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The IUPAC name of (1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide (CID 98229321) is (1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide.
What is the SMILES notation for (1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The canonical SMILES for (1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl.
What is the InChIKey of (1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The InChIKey is BFBWEKPADQPKTF-DDHJBXDOSA-N. The full InChI is InChI=1S/C17H17Cl4NO/c18-13-6-1-8(7-14(13)19)22-16(23)15-9-2-4-11-12(17(11,20)21)5-3-10(9)15/h1,6-7,9-12,15H,2-5H2,(H,22,23)/t9-,10-,11-,12-/m1/s1.
What are the key properties of (1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
(1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide has a molecular weight of 393.14 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R,9R)-10,10-dichloro-N-(3,4-dichlorophenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide is sourced from PubChem (CID 98229321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).